Journal articles

2019

ref_biblio
D. Amoroso, A. Cano, and P. Ghosez, "Interplay between Ca- and Ti-driven ferroelectric distortions in (Ba, Ca)TiO 3 solid solutions from first-principles calculations," Applied Physics Letters, vol. 114, no. 9, pp. 092902, Mar. 2019. <10.1063/1.5065655>. <hal-02057208>.
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F. Bonnet, M. Melich, L. Puech, J.-C. Anglès D’auriac, and P.-E. Wolf, "On Condensation and Evaporation Mechanisms in Disordered Porous Materials," Langmuir, vol. 35, no. 15, pp. 5140-5150, Mar. 2019. <10.1021/acs.langmuir.8b04275>. <hal-02116059>.
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O. Cepas, and P. Akhmetiev, "Invariants of winding-numbers and steric obstruction in dynamics of flux lines," SciPost Physics, vol. 7, no. 3, pp. 032, Sep. 2019. <10.21468/SciPostPhys.7.3.032>. <hal-02285000>.
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T. Champel, and S. Florens, "A solvable model of Landau quantization breakdown," European Physical Journal B: Condensed Matter and Complex Systems, vol. 92, no. 6, pp. 124, Jun. 2019. <10.1140/epjb/e2019-100107-7>. <hal-01898919>.
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I. Duchemin, and X. Blase, "Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA," Journal of Chemical Physics, vol. 150, no. 17, pp. 174120, May. 2019. <10.1063/1.5090605>. <hal-02138946>.
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B. Dutta, D. Majidi, A. García Corral, P. Erdman, S. Florens, T. Costi, H. Courtois, and C. Winkelmann, "Direct Probe of the Seebeck Coefficient in a Kondo-Correlated Single-Quantum-Dot Transistor," Nano Letters, vol. 19, no. 1, pp. 506-511, Jan. 2019. <10.1021/acs.nanolett.8b04398>. <hal-01977481>.
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J. Iñiguez, P. Zubko, I. Luk’yanchuk, and A. Cano, "Ferroelectric negative capacitance," Nature Reviews Materials, vol. 4, no. 4, pp. 243-256, Mar. 2019. <10.1038/s41578-019-0089-0>. <hal-02068506>.
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J. Li, and C. Delerue, "Intrinsic transport properties of nanoporous graphene highly suitable for complementary field-effect transistors," 2D Materials, vol. 6, no. 3, pp. 035026, Jul. 2019. <10.1088/2053-1583/ab1c25>. <hal-02133315>.
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J. Li, I. Duchemin, O. M. Roscioni, P. Friederich, M. Anderson, E. Da Como, G. Kociok-Köhn, W. Wenzel, C. Zannoni, D. Beljonne, X. Blase, and G. D'avino, "Host dependence of the electron affinity of molecular dopants," Materials Horizons, vol. 6, no. 1, pp. 107-114, 2019. <10.1039/c8mh00921j>. <hal-01908090>.
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R. Mélin, R. Danneau, K. Yang, J.-G. Caputo, and B. Douçot, "Engineering the Floquet spectrum of superconducting multiterminal quantum dots," Physical Review B : Condensed matter and materials physics, vol. 100, no. 3, pp. 035450, Jul. 2019. <10.1103/PhysRevB.100.035450>. <hal-02362922>.
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A. Narayan, A. Cano, A. Balatsky, and N. Spaldin, "Multiferroic quantum criticality," Nature Materials, vol. 18, no. 3, pp. 223-228, 2019. <10.1038/s41563-018-0255-6>. <hal-02010325>.
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T. Nematiaram, S. Ciuchi, X. Xie, S. Fratini, and A. Troisi, "Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory," Journal of Physical Chemistry C, vol. 123, no. 12, pp. 6989-6997, Mar. 2019. <10.1021/acs.jpcc.8b11916>. <hal-02081565>.
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V. Olevano, J. Toulouse, and P. Schuck, "A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW +BSE and self-consistent RPA," Journal of Chemical Physics, vol. 150, no. 8, pp. 084112, 2019. <10.1063/1.5080330>. <hal-01959688>.
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Y. Perrin, B. Canals, and N. Rougemaille, "Quasidegenerate ice manifold in a purely two-dimensional square array of nanomagnets," Physical Review B : Condensed matter and materials physics, vol. 99, no. 22, pp. 224434, Jun. 2019. <10.1103/PhysRevB.99.224434>. <hal-02358163>.
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J. Puertas Martínez, S. Léger, N. Gheeraert, R. Dassonneville, L. Planat, F. Foroughi, Y. Krupko, O. Buisson, C. Naud, W. Hasch-Guichard, S. Florens, I. Snyman, and N. Roch, "A tunable Josephson platform to explore many-body quantum optics in circuit-QED," npj Quantum Information, vol. 5, pp. 19, Dec. 2019. <10.1038/s41534-018-0104-0>. <hal-02081315>.
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N. Rougemaille, and B. Canals, "Cooperative magnetic phenomena in artificial spin systems: spin liquids, Coulomb phase and fragmentation of magnetism -- a colloquium," European Physical Journal B: Condensed Matter and Complex Systems, vol. 92, no. 3, pp. 62, Mar. 2019. <10.1140/epjb/e2018-90346-7>. <hal-02127975>.
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M. Ruggiero, S. Ciuchi, S. Fratini, and G. D’avino, "Electronic Structure, Electron-Phonon Coupling, and Charge Transport in Crystalline Rubrene Under Mechanical Strain," Journal of Physical Chemistry C, vol. 123, no. 26, pp. 15897-15907, May. 2019. <10.1021/acs.jpcc.9b01902>. <hal-02322070>.
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J. Schaab, K. Shapovalov, P. Schoenherr, J. Hackl, M. Khan, M. Hentschel, Z. Yan, E. Bourret, C. Schneider, S. Nemsák, M. Stengel, A. Cano, and D. Meier, "Electrostatic potential mapping at ferroelectric domain walls by low-temperature photoemission electron microscopy," Applied Physics Letters, vol. 115, no. 12, pp. 122903, Sep. 2019. <10.1063/1.5117881>. <hal-02303888>.
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P. Schoenherr, K. Shapovalov, J. Schaab, Z. Yan, E. Bourret, M. Hentschel, M. Stengel, M. Fiebig, A. Cano, and D. Meier, "Observation of uncompensated bound charges at improper ferroelectric domain walls," Nano Letters, vol. 19, no. 3, pp. 1659--1664, Feb. 2019. <10.1021/acs.nanolett.8b04608>. <hal-02018493>.
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G. Schweicher, G. D'avino, M. Ruggiero, D. Harkin, K. Broch, D. Venkateshvaran, G. Liu, A. Richard, C. Ruzié, J. Armstrong, A. Kennedy, K. Shankland, K. Takimiya, Y. Geerts, J. A. Zeitler, S. Fratini, and H. Sirringhaus, "Chasing the "Killer" Phonon Mode for the Rational Design of Low-Disorder, High-Mobility Molecular Semiconductors," Advanced Materials, pp. 1902407, Sep. 2019. <10.1002/adma.201902407>. <hal-02322025>.

2018

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X. Blase, I. Duchemin, and D. Jacquemin, "The Bethe--Salpeter equation in chemistry: relations with TD-DFT, applications and challenges," Chemical Society Reviews, vol. 47, no. 3, pp. 1022 - 1043, 2018. <10.1039/C7CS00049A>. <hal-01715822>.
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M. Chandra, S. Yadav, R. J. Choudhary, R. Rawat, A. Sinha, M.-B. Lepetit, and K. Singh, "Multiferroicity and magnetoelastic coupling in $\alpha$ -- M n 2 O 3 : A binary perovskite," Physical Review B : Condensed matter and materials physics, vol. 98, no. 10, pp. 104427, Sep. 2018. <10.1103/PhysRevB.98.104427>. <hal-02000652>.
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H. Chung, D. Dudenko, F. Zhang, G. D’avino, C. Ruzié, A. Richard, G. Schweicher, J. Cornil, D. Beljonne, Y. Geerts, and Y. Diao, "Rotator side chains trigger cooperative transition for shape and function memory effect in organic semiconductors," Nature Communications, vol. 9, no. 1, pp. 278, 2018. <10.1038/s41467-017-02607-9>. <hal-01910594>.
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S. Ciuchi, D. Di Sante, V. Dobrosavljevi\'c, and S. Fratini, "The origin of Mooij correlations in disordered metals," npj Quantum Materials, vol. 3, pp. 44, Dec. 2018. <10.1038/s41535-018-0119-y>. <hal-01907843>.
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Y. Cohen, Y. Ronen, J.-H. Kang, M. Heiblum, D. Feinberg, R. Mélin, and H. Shtrikman, "Nonlocal supercurrent of quartets in a three-terminal Josephson junction," Proceedings of the National Academy of Sciences of the United States of America, vol. 115, no. 27, pp. 6991-6994, Jul. 2018. <10.1073/pnas.1800044115>. <hal-01957092>.
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M. Deutsch, W. Peng, P. Foury-Leylekian, V. Balédent, S. Chattopadhyay, M. T. Fernandez-Diaz, T. C. Hansen, A. Forget, D. Colson, M. Greenblatt, M.-B. Lepetit, S. Petit, and I. Mirebeau, "Pressure-induced commensurate order in TbMn 2 O 5 and DyMn 2 O 5 : Influence of rare-earth anisotropy and 3 d -- 4 f exchange," Physical Review B : Condensed matter and materials physics, vol. 98, no. 2, pp. 024408, 2018. <10.1103/PhysRevB.98.024408>. <hal-01835070>.
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X.-Y. Dong, A. Grushin, J. Motruk, and F. Pollmann, "Charge Excitation Dynamics in Bosonic Fractional Chern Insulators," Physical Review Letters, vol. 121, no. 8, pp. 086401, Aug. 2018. <10.1103/PhysRevLett.121.086401>. <hal-01908359>.
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I. Duchemin, C. A. Guido, D. Jacquemin, and X. Blase, "The Bethe--Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features," Chemical Science, vol. 9, no. 19, pp. 4430 - 4443, 2018. <10.1039/c8sc00529j>. <hal-01908091>.
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F. Estrada, E. J. Guzmán, O. Navarro, and M. Avignon, "Curie temperature behavior in half-metallic ferromagnetic double perovskites within the electronic correlation picture," Physical Review B : Condensed matter and materials physics, vol. 97, no. 19, pp. 195155, May. 2018. <10.1103/PhysRevB.97.195155>. <hal-02000645>.
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F. Flicker, F. De Juan, B. Bradlyn, T. Morimoto, M. Vergniory, and A. Grushin, "Chiral optical response of multifold fermions," Physical Review B : Condensed matter and materials physics, vol. 98, no. 15, pp. 155145, Oct. 2018. <10.1103/PhysRevB.98.155145>. <hal-01908368>.
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R.-M. Galéra, C. Opagiste, J.-C. Toussaint, M.-B. Lepetit, S. Rols, and M. Amara, "Analysis of the magnetic properties of Ce 3 Pt 23 Si 11 : orthorhombic crystal field and mean-field approximation," Journal of Physics: Condensed Matter, vol. 30, no. 28, pp. 285802, Jul. 2018. <10.1088/1361-648X/aaca65>. <hal-01859911>.
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N. Gheeraert, X. Zhang, T. Sépulcre, S. Bera, N. Roch, H. U. Baranger, and S. Florens, "Particle production in ultrastrong-coupling waveguide QED," Physical Review A, vol. 98, no. 4, pp. 043816, Oct. 2018. <10.1103/PhysRevA.98.043816>. <hal-01957087>.
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T. He, Y. Wu, G. D’avino, E. Schmidt, M. Stolte, J. Cornil, D. Beljonne, P. P. P. Ruden, F. Würthner, and C. D. Frisbie, "Crystal step edges can trap electrons on the surfaces of n-type organic semiconductors," Nature Communications, vol. 9, pp. 2141, Dec. 2018. <10.1038/s41467-018-04479-z>. <hal-01910593>.
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S. Körbel, P. Boulanger, X. Blase, M. Marques, and S. Botti, "Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods," European Physical Journal B: Condensed Matter and Complex Systems, vol. 91, no. 10, pp. 215, Oct. 2018. <10.1140/epjb/e2018-90206-6>. <hal-02000499>.
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J. Li, G. D 'avino, I. Duchemin, D. Beljonne, and X. Blase, "Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory," Physical Review B : Condensed matter and materials physics, vol. 97, no. 3, pp. 035108, Jan. 2018. <10.1103/PhysRevB.97.035108>. <hal-01715820>.
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J. Merino, A. C. Jacko, A. L. Khosla, A. Ralko, and B. J. Powell, "Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo 3 S 7 (dmit) 3 crystals," AIP Advances, vol. 8, no. 10, pp. 101430, 2018. <10.1063/1.5041341>. <hal-02000655>.
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J. Merino, and A. Ralko, "Role of quantum fluctuations on spin liquids and ordered phases in the Heisenberg model on the honeycomb lattice," Physical Review B : Condensed matter and materials physics, vol. 97, no. 20, pp. 205112, May. 2018. <10.1103/PhysRevB.97.205112>. <hal-02000640>.
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O. Navarro, F. Estrada, E. Guzmán, and M. Avignon, "Electronic correlation effects on the Curie temperature in double perovskites," Materials Today: Proceedings, vol. 5, no. 9, pp. 17431-17436, 2018. <10.1016/j.matpr.2018.06.045>. <hal-02018871>.
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Y. Olivier, J.-C. Sancho-Garcia, L. Muccioli, G. D’avino, and D. Beljonne, "Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead," Journal of Physical Chemistry Letters, vol. 9, no. 20, pp. 6149-6163, Sep. 2018. <10.1021/acs.jpclett.8b02327>. <hal-02000657>.
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S. Patankar, L. Wu, B. Lu, M. Rai, D. Tran, T. Morimoto, D. Parker, A. Grushin, N. Nair, J. Analytis, J. Moore, J. Orenstein, and D. Torchinsky, "Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs," Physical Review B : Condensed matter and materials physics, vol. 98, no. 16, pp. 165113, Oct. 2018. <10.1103/PhysRevB.98.165113>. <hal-01908375>.
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L. Peralta Gavensky, G. Usaj, D. Feinberg, and C. Balseiro, "Berry curvature tomography and realization of topological Haldane model in driven three-terminal Josephson junctions," Physical Review B : Condensed matter and materials physics, vol. 97, no. 22, pp. 220505(R), Jun. 2018. <10.1103/PhysRevB.97.220505>. <hal-01957104>.
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A. Pustogow, M. Bories, A. Löhle, R. Rösslhuber, E. Zhukova, B. Gorshunov, S. Tomi\'c, J. A. Schlueter, R. Hübner, T. Hiramatsu, Y. Yoshida, G. Saito, R. Kato, T.-H. Lee, V. Dobrosavljevi\'c, S. Fratini, and M. Dressel, "Quantum Spin Liquids Unveil the Genuine Mott State," Nature Materials, vol. 17, no. 9, pp. 773-777, 2018. <10.1038/s41563-018-0140-3>. <hal-01907891>.
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A. Pustogow, Y. Saito, E. Zhukova, B. Gorshunov, R. Kato, T.-H. Lee, S. Fratini, V. Dobrosavljevic, and M. Dressel, "Low-Energy Excitations in Quantum Spin Liquids Identified by Optical Spectroscopy," Physical Review Letters, vol. 121, no. 5, pp. 056402, 2018. <10.1103/PhysRevLett.121.056402>. <hal-01907895>.
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A. Ralko, F. Mila, and I. Rousochatzakis, "Microscopic theory of the nearest-neighbor valence bond sector of the spin- 1 2 kagome antiferromagnet," Physical Review B : Condensed matter and materials physics, vol. 97, no. 10, pp. 104401, Mar. 2018. <10.1103/PhysRevB.97.104401>. <hal-02000632>.
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K.-D. Richler, S. Fratini, S. Ciuchi, and D. Mayou, "Inhomogeneous dynamical mean-field theory of the small polaron problem," Journal of Physics: Condensed Matter, vol. 30, no. 46, pp. 465902, 2018. <10.1088/1361-648X/aae619>. <hal-01907872>.
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O. M. Roscioni, G. D’avino, L. Muccioli, and C. Zannoni, "Pentacene Crystal Growth on Silica and Layer-Dependent Step-Edge Barrier from Atomistic Simulations," Journal of Physical Chemistry Letters, vol. 9, no. 23, pp. 6900-6906, Nov. 2018. <10.1021/acs.jpclett.8b03063>. <hal-02022626>.
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S. Roy, M. Kolodrubetz, N. Goldman, and A. Grushin, "Tunable axial gauge fields in engineered Weyl semimetals: semiclassical analysis and optical lattice implementations," 2D Materials, vol. 5, no. 2, pp. 024001, Apr. 2018. <10.1088/2053-1583/aaa577>. <hal-01908352>.
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A. Ruff, Z. Li, A. Loidl, J. Schaab, M. Fiebig, A. Cano, Z. Yan, E. Bourret, J. Glaum, D. Meier, and S. Krohns, "Frequency dependent polarisation switching in h-ErMnO 3," Applied Physics Letters, vol. 112, no. 18, pp. 182908, 2018. <10.1063/1.5026732>. <hal-01909076>.
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J. Schaab, S. Skjærvø, S. Krohns, X. Dai, M. Holtz, A. Cano, M. Lilienblum, Z. Yan, E. Bourret, D. Muller, M. Fiebig, S. Selbach, and D. Meier, "Electrical half-wave rectification at ferroelectric domain walls," Nature Nanotechnology, vol. 13, no. 11, pp. 1028-1034, 2018. <10.1038/s41565-018-0253-5>. <hal-01909079>.
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B. Sklenard, A. Dragoni, F. Triozon, and V. Olevano, "Optical vs electronic gap of hafnia by $ab\ initio$ Bethe-Salpeter equation," Applied Physics Letters, vol. 113, no. 17, pp. 172903, 2018. <10.1063/1.5044631>. <hal-02000666>.
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L. Sponza, H. Amara, F. Ducastelle, A. Loiseau, and C. Attaccalite, "Exciton interference in hexagonal boron nitride," Physical Review B : Condensed matter and materials physics, vol. 97, no. 7, pp. 075121, Feb. 2018. <10.1103/PhysRevB.97.075121>. <hal-01635495>.
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D. Timerkaeva, C. Attaccalite, G. Brenet, D. Caliste, and P. Pochet, "Response to "Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’" [J. Appl. Phys. 124 , 086101 (2018)]," Journal of Applied Physics, vol. 124, no. 8, pp. 086102, Aug. 2018. <10.1063/1.5044186>. <hal-01972471>.
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B. Venitucci, D. Feinberg, R. Mélin, and B. Douçot, "Nonadiabatic Josephson current pumping by chiral microwave irradiation," Physical Review B : Condensed matter and materials physics, vol. 97, no. 19, pp. 195423, May. 2018. <10.1103/PhysRevB.97.195423>. <hal-01957096>.
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S. Vlaic, N. Rougemaille, A. Artaud, V. Renard, L. Huder, J.-L. Rouvière, A. Kimouche, B. Santos, A. Locatelli, V. Guisset, P. David, C. Chapelier, L. Magaud, B. Canals, and J. Coraux, "Graphene as a Mechanically Active, Deformable Two-Dimensional Surfactant," Journal of Physical Chemistry Letters, vol. 9, no. 10, pp. 2523-2531, Apr. 2018. <10.1021/acs.jpclett.8b00586>. <hal-01781881>.
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G. Yahia, F. Damay, S. Chattopadhyay, V. Balédent, W. Peng, S. W. Kim, M. Greenblatt, M.-B. Lepetit, and P. Foury-Leylekian, "Experimental evidence for the microscopic mechanism of the unusual spin-induced electric polarization in GdMn 2 O 5," Physical Review B : Condensed matter and materials physics, vol. 97, no. 8, pp. 085128, Feb. 2018. <10.1103/PhysRevB.97.085128>. <hal-02000629>.

2017

ref_biblio
M. Anderson, C. Ramanan, C. Fontanesi, A. Frick, S. Surana, D. Cheyns, M. Furno, T. Keller, S. Allard, U. Scherf, D. Beljonne, G. D’avino, E. Von Hauff, and E. Da Como, "Displacement of polarons by vibrational modes in doped conjugated polymers," Physical Review Materials, vol. 1, no. 5, pp. 055604, Oct. 2017. <10.1103/PhysRevMaterials.1.055604>. <hal-01910597>.
ref_biblio
C. Attaccalite, E. Cannuccia, and M. Grüning, "Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons," Physical Review B : Condensed matter and materials physics, vol. 95, no. 12, pp. 125403, Mar. 2017. <10.1103/PhysRevB.95.125403>. <hal-01635486>.
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C. Azarias, C. Habert, \. S. Budzák, X. Blase, I. Duchemin, and D. Jacquemin, "Calculations of n $\rightarrow$$\pi$* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/ GW Descriptions," Journal of Physical Chemistry A, vol. 121, no. 32, pp. 6122-6134, Aug. 2017. <10.1021/acs.jpca.7b05222>. <hal-02000691>.
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C. Azarias, I. Duchemin, X. Blase, and D. Jacquemin, "Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT," Journal of Chemical Physics, vol. 146, no. 3, pp. 034301, Jan. 2017. <10.1063/1.4974097>. <hal-01633511>.
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J. Behrends, J.-W. Rhim, S. Liu, A. Grushin, and J. H. Bardarson, "Nodal-line semimetals from Weyl superlattices," Physical Review B : Condensed matter and materials physics, vol. 96, no. 24, pp. 245101, Dec. 2017. <10.1103/PhysRevB.96.245101>. <hal-01908351>.
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Z. Blunden-Codd, S. Bera, B. Bruognolo, N.-O. Linden, A. Chin, J. Von Delft, A. Nazir, and S. Florens, "Anatomy of quantum critical wave functions in dissipative impurity problems," Physical Review B : Condensed matter and materials physics, vol. 95, no. 8, pp. 085104, Feb. 2017. <10.1103/PhysRevB.95.085104>. <hal-01706730>.
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E. Cannuccia, V. Ta-Phuoc, B. Briere, L. Cario, E. Janod, B. Corraze, and M.-B. Lepetit, "Combined First Principle Calculations and Experimental Study of the Phonon Modes in the Multiferroic Compound GeV4S8," Journal of Physical Chemistry C, vol. 121, no. 6, pp. 3522-3529, Jan. 2017. <10.1021/acs.jpcc.6b10582>. <hal-01459125>.
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O. Cepas, "Colorings of odd or even chirality on hexagonal lattices," Physical Review B : Condensed matter and materials physics, vol. 95, no. 6, pp. 064405, Feb. 2017. <10.1103/PhysRevB.95.064405>. <hal-01913130>.
ref_biblio
G. D’avino, M. Souto, M. Masino, J. Fischer, I. Ratera, X. Fontrodona, G. Giovannetti, M. Verstraete, A. Painelli, P. Lunkenheimer, J. Veciana, and A. Girlando, "Conflicting evidence for ferroelectricity," Nature, vol. 547, no. 7662, pp. E9 - E10, Jul. 2017. <10.1038/nature22801>. <hal-01910603>.
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G. D’avino, A. Painelli, and Z. Soos, "Modeling the Neutral-Ionic Transition with Correlated Electrons Coupled to Soft Lattices and Molecules," Crystals, vol. 7, no. 5, pp. 144, May. 2017. <10.3390/cryst7050144>. <hal-01910605>.
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N. Dardenne, R. Cardia, J. Li, G. Malloci, G. Cappellini, X. Blase, J.-C. Charlier, and G.-M. Rignanese, "Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study," Journal of Physical Chemistry C, vol. 121, no. 44, pp. 24480 - 24488, Oct. 2017. <10.1021/acs.jpcc.7b08601>. <hal-01633541>.
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F. De Juan, A. Grushin, T. Morimoto, and J. Moore, "Quantized circular photogalvanic effect in Weyl semimetals," Nature Communications, vol. 8, pp. 15995, Jul. 2017. <10.1038/ncomms15995>. <hal-01908345>.
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F. Delchiaro, A. Girlando, A. Painelli, A. Bandyopadhyay, S. Pati, and G. D'avino, "Towards first-principles prediction of valence instabilities in mixed stack charge-transfer crystals," Physical Review B : Condensed matter and materials physics, vol. 95, no. 15, pp. 155125, Apr. 2017. <10.1103/PhysRevB.95.155125>. <hal-01910600>.
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D. Di Sante, S. Fratini, V. Dobrosavljevi\'c, and S. Ciuchi, "Disorder-driven metal-insulator transitions in deformable lattices," Physical Review Letters, vol. 118, no. 3, pp. 036602, 2017. <10.1103/PhysRevLett.118.036602>. <hal-01907885>.
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I. Duchemin, J. Li, and X. Blase, "Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals," Journal of Chemical Theory and Computation, vol. 13, no. 3, pp. 1199 - 1208, Feb. 2017. <10.1021/acs.jctc.6b01215>. <hal-01633509>.
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D. Escudero, I. Duchemin, X. Blase, and D. Jacquemin, "Modeling the Photochrome--TiO 2 Interface with Bethe--Salpeter and Time-Dependent Density Functional Theory Methods," Journal of Physical Chemistry Letters, vol. 8, no. 5, pp. 936 - 940, Feb. 2017. <10.1021/acs.jpclett.7b00015>. <hal-01625569>.
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S. Fratini, S. Ciuchi, D. Mayou, G. Trambly De Laissardière, and A. Troisi, "A map of high-mobility molecular semiconductors," Nature Materials, vol. 16, no. 10, pp. 998-1002, Sep. 2017. <10.1038/nmat4970>. <hal-02000707>.
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D. Jacquemin, I. Duchemin, and X. Blase, "Is the Bethe--Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD ?," Journal of Physical Chemistry Letters, vol. 8, no. 7, pp. 1524, Mar. 2017. <10.1021/acs.jpclett.7b00381>. <hal-01550200>.
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A. S. B. Koçak, J. Varignon, S. Lemal, P. Ghosez, and M.-B. Lepetit, "Control of the orbital ordering in manganite superlattices and impact on properties," Physical Review B : Condensed matter and materials physics, vol. 96, no. 12, pp. 125155, Sep. 2017. <10.1103/PhysRevB.96.125155>. <hal-02000693>.
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M.-B. Lepetit, and A. Gellé, "Effective valence-bond theory for strongly correlated systems," Computational and Theoretical Chemistry, vol. 1116, pp. 59-63, 2017. <10.1016/j.comptc.2017.01.006>. <hal-01580452>.
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M. Lepetit, O. Kabbaj, and A. Zrineh, "Theoretical Characteristics of Metalloporphyrins (OEP) M (CH 3 ) (M=Al, Ga, In and Tl)," Der Pharma Chemica, vol. 9, no. 6, pp. 80-86, 2017. <hal-01701708>.
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J. Li, G. D'avino, A. Pershin, D. Jacquemin, I. Duchemin, D. Beljonne, and X. Blase, "Correlated electron-hole mechanism for molecular doping in organic semiconductors," Physical Review Materials, vol. 1, no. 2, pp. 025602, Jul. 2017. <10.1103/PhysRevMaterials.1.025602>. <hal-01625561>.
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J. Li, Y.-M. Niquet, and C. Delerue, "Complexity of the hot carrier relaxation in Si nanowires compared to bulk," Physical Review B : Condensed matter and materials physics, vol. 95, no. 20, pp. 205401, May. 2017. <10.1103/PhysRevB.95.205401>. <hal-02015399>.
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J. Li, M. Holzmann, I. Duchemin, X. Blase, and V. Olevano, "Helium atom excitations by the GW and Bethe-Salpeter many-body formalism," Physical Review Letters, vol. 118, no. 16, pp. 163001, 2017. <10.1103/PhysRevLett.118.163001>. <hal-01558377>.
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G. Mugny, J. Li, F. Triozon, Y.-M. Niquet, D. Rideau, and C. Li, "Electronic structure and electron mobility in Si 1-- x Ge x nanowires," Applied Physics Letters, vol. 110, no. 5, pp. 052102, Jan. 2017. <10.1063/1.4975066>. <hal-02015130>.
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V.-D. Nguyen, Y. Perrin, S. Le Denmat, B. Canals, and N. Rougemaille, "Competing interactions in artificial spin chains," Physical Review B : Condensed matter and materials physics, vol. 96, no. 1, pp. 014402, Jul. 2017. <10.1103/PhysRevB.96.014402>. <hal-01964216>.
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Y. Olivier, B. Yurash, L. Muccioli, G. D’avino, O. Mikhnenko, C. Sancho-García, C. Adachi, T.-Q. Nguyen, and D. Beljonne, "Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence," Physical Review Materials, vol. 1, no. 7, pp. 075602, Dec. 2017. <10.1103/PhysRevMaterials.1.075602>. <hal-01910595>.
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C. Padurariu, T. Jonckheere, J. Rech, T. Martin, and D. Feinberg, "Tunable pseudogaps due to nonlocal coherent transport in voltage-biased three-terminal Josephson junctions," Physical Review B : Condensed matter and materials physics, vol. 95, no. 20, pp. 205437, May. 2017. <10.1103/PhysRevB.95.205437>. <hal-01588137>.
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W. Peng, V. Balédent, S. Chattopadhyay, M.-B. Lepetit, G. Yahia, C. Colin, M. Gooch, C. Pasquier, P. Auban-Senzier, M. Greenblatt, and P. Foury-Leylekian, "Toward pressure-induced multiferroicity in PrMn2O5," Physical Review B : Condensed matter and materials physics, vol. 96, no. 5, pp. 054418, Aug. 2017. <10.1103/PhysRevB.96.054418>. <hal-01963799>.
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N. Pugach, M. Safonchik, T. Champel, M. E. Zhitomirsky, E. Lähderanta, M. Eschrig, and C. Lacroix, "Superconducting spin valves controlled by spiral re-orientation in B20-family magnets," Applied Physics Letters, vol. 111, no. 16, pp. 162601, Oct. 2017. <10.1063/1.5000315>. <hal-01621672>.
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T. Rangel, A. Ferretti, V. Olevano, and G.-M. Rignanese, "Many-body correlations and coupling in benzene-dithiol junctions," Physical Review B : Condensed matter and materials physics, vol. 95, no. 11, pp. 115137, 2017. <10.1103/PhysRevB.95.115137>. <hal-01558372>.
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X. Ren, M. J. Bruzek, D. A. Hanifi, A. Schulzetenberg, Y. Wu, C.-H. Kim, Z. Zhang, J. E. Johns, A. Salleo, S. Fratini, A. Troisi, C. J. Douglas, and C. D. Frisbie, "Negative Isotope Effect on Field-Effect Hole Transport in Fully Substituted 13 C-Rubrene," Advanced Electronic Materials, vol. 3, no. 4, pp. 1700018, Apr. 2017. <10.1002/aelm.201700018>. <hal-02000708>.
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D. L. R. Santos, F. A. Pinheiro, J. Velev, M. Chshiev, J. D’albuquerque E Castro, and C. Lacroix, "Modeling anisotropic magnetoresistance in layered antiferromagnets," Journal of Physics: Condensed Matter, vol. 29, no. 23, pp. 235302, May. 2017. <10.1088/1361-648X/aa6b2b>. <hal-01576749>.
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I. Snyman, and S. Florens, "Microscopic bosonization of band structures: x-ray processes beyond the Fermi edge," New Journal of Physics, vol. 19, no. 11, pp. 113031, Nov. 2017. <10.1088/1367-2630/aa9558>. <hal-01706744>.
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D. T. Tran, A. Dauphin, A. Grushin, P. Zoller, and N. Goldman, "Probing topology by "heating": Quantized circular dichroism in ultracold atoms," Science Advances, vol. 3, no. 8, pp. e1701207, Aug. 2017. <10.1126/sciadv.1701207>. <hal-01908350>.
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E. Vallejo, and M. Avignon, "New metastable phases in an oxyborate compound obtained by an evolutionary algorithm and Density Functional Theory," Journal of Magnetism and Magnetic Materials, vol. 435, pp. 33-39, Aug. 2017. <10.1016/j.jmmm.2017.03.061>. <hal-02000687>.
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G. Yahia, F. Damay, S. Chattopadhyay, V. Balédent, W. Peng, E. Elkaim, M. Whitaker, M. Greenblatt, M.-B. Lepetit, and P. Foury-Leylekian, "Recognition of exchange striction as the origin of magnetoelectric coupling in multiferroics," Physical Review B : Condensed matter and materials physics, vol. 95, no. 18, pp. 184112, May. 2017. <10.1103/PhysRevB.95.184112>. <hal-02000674>.

2016

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J.-C. Anglès D'auriac, and F. Iglói, "Phase transitions of the random-bond Potts chain with long-range interactions," Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, vol. 94, no. 6, pp. 062126, Dec. 2016. <10.1103/PhysRevE.94.062126>. <hal-02007670>.
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S. Bera, H. U. Baranger, and S. Florens, "Dynamics of a qubit in a high-impedance transmission line from a bath perspective," Physical Review A, vol. 93, no. 3, pp. 033847, Mar. 2016. <10.1103/PhysRevA.93.033847>. <hal-01362087>.
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P. Boulanger, F. Bruneval, M. Fernandez-Serra, I. Duchemin, and X. Blase, "GW and Bethe-Salpeter study of small water clusters," Journal of Chemical Physics, vol. 144, no. 3, pp. 034109, Jan. 2016. <10.1063/1.4940139>. <hal-01633590>.
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B. Canals, I.-A. Chioar, V.-D. Nguyen, M. Hehn, D. Lacour, F. Montaigne, A. Locatelli, T. O. Mente\c S, B. S. Burgos, and N. Rougemaille, "Fragmentation of magnetism in artificial kagome dipolar spin ice," Nature Communications, vol. 7, pp. 11446, May. 2016. <10.1038/ncomms11446>. <hal-01316259>.
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R. Cardia, G. Malloci, G. Rignanese, X. Blase, E. Molteni, and G. Cappellini, "Electronic and optical properties of hexathiapentacene in the gas and crystal phases," Physical Review B : Condensed matter and materials physics, vol. 93, no. 23, pp. 235132, Jun. 2016. <10.1103/PhysRevB.93.235132>. <hal-01633569>.
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T. Champel, D. Hernangomez-Perez, and S. Florens, "Topologically protected entanglement of electron pair cyclotron motions," Physical Review B : Condensed matter and materials physics, vol. 93, no. 7, pp. 075112, Feb. 2016. <10.1103/PhysRevB.93.075112>. <hal-01218642>.
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I. A. Chioar, N. Rougemaille, and B. Canals, "Ground-state candidate for the classical dipolar kagome Ising antiferromagnet," Physical Review B : Condensed matter and materials physics, vol. 93, no. 21, pp. 214410, Jun. 2016. <10.1103/PhysRevB.93.214410>. <hal-01343777>.
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I. Duchemin, D. Jacquemin, and X. Blase, "Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach," Journal of Chemical Physics, vol. 144, no. 16, pp. 164106, 2016. <10.1063/1.4946778>. <hal-01633579>.
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J. L. Ferreira, S. Burdin, and C. Lacroix, "Interplay of magnetism and valence instabilities in lanthanide systems," Journal of Science: Advanced Materials and Devices, vol. 1, no. 2, pp. 164-166, Jun. 2016. <10.1016/j.jsamd.2016.06.007>. <hal-01426220>.
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S. Fratini, D. Mayou, and S. Ciuchi, "The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials," Advanced Functional Materials, vol. 26, no. 14, pp. 2292-2315, Jan. 2016. <10.1002/adfm.201502386>. <hal-01219137>.
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V. Granata, L. Capogna, F. Forte, M.-B. Lepetit, R. Fittipaldi, A. Stunault, M. Cuoco, and A. Vecchione, "Spin-orbital nature of the high-field magnetic state in the Sr 4 Ru 3 O 10," Physical Review B : Condensed matter and materials physics, vol. 93, no. 11, pp. 115128, Mar. 2016. <10.1103/PhysRevB.93.115128>. <hal-01955711>.
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M. Grüning, and C. Attaccalite, "Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te)," Physical Chemistry Chemical Physics, vol. 18, no. 31, pp. 21179-21189, 2016. <10.1039/c6cp00459h>. <hal-01320555>.
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M. Grüning, D. Sangalli, and C. Attaccalite, "Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory," Physical Review B : Condensed matter and materials physics, vol. 94, no. 3, pp. 035149, Jul. 2016. <10.1103/PhysRevB.94.035149>. <hal-01320532>.
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L. Hung, C. Guedj, N. Bernier, P. Blaise, V. Olevano, and F. Sottile, "Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory," Physical Review B : Condensed matter and materials physics, vol. 93, no. 16, pp. 165105, 2016. <10.1103/PhysRevB.93.165105>. <hal-01558383>.
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D. Jacquemin, I. Duchemin, and X. Blase, "Assessment of the convergence of partially self-consistent BSE/GW calculations," Molecular Physics, vol. 114, no. 7-8, pp. 957-967, 2016. <10.1080/00268976.2015.1119901>. <cea-01849852>.
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D. Jacquemin, I. Duchemin, A. Blondel, and X. Blase, "Assessment of the Accuracy of the Bethe--Salpeter (BSE/ GW ) Oscillator Strengths," Journal of Chemical Theory and Computation, vol. 12, no. 8, pp. 3969 - 3981, Aug. 2016. <10.1021/acs.jctc.6b00419>. <hal-01633513>.
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T.-H. Lee, S. Florens, and V. Dobrosavljevi\'c, "Fate of Spinons at the Mott Point," Physical Review Letters, vol. 117, no. 13, pp. 136601, Sep. 2016. <10.1103/PhysRevLett.117.136601>. <hal-01706725>.
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M.-B. Lepetit, "How to compute the magneto-electric tensor from ab-initio calculations?," Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 135, no. 4, pp. 91, Apr. 2016. <10.1007/s00214-016-1844-6>. <hal-01955717>.
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J. Li, G. D’avino, I. Duchemin, D. Beljonne, and X. Blase, "Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids," Journal of Physical Chemistry Letters, vol. 7, no. 14, pp. 2814 - 2820, Jul. 2016. <10.1021/acs.jpclett.6b01302>. <hal-01633561>.
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R. Mélin, D. Feinberg, and B. Douçot, "Partially resummed perturbation theory for multiple Andreev reflections in a short three-terminal Josephson junction," European Physical Journal B: Condensed Matter and Complex Systems, vol. 89, no. 3, pp. 67, Mar. 2016. <10.1140/epjb/e2016-60916-x>. <hal-01491061>.
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R. Mélin, M. Sotto, D. Feinberg, J.-G. Caputo, and B. Douçot, "Gate-tunable zero-frequency current cross correlations of the quartet state in a voltage-biased three-terminal Josephson junction," Physical Review B : Condensed matter and materials physics, vol. 93, no. 11, pp. 115436, Mar. 2016. <10.1103/PhysRevB.93.115436>. <hal-01304336>.
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W. Nils, S. Florens, T. Meng, V. Meden, and S. Andergassen, "Magnetoelectric spectroscopy of Andreev bound states in Josephson quantum dots," Physical Review B : Condensed matter and materials physics, vol. 94, no. 8, pp. 085151, Aug. 2016. <10.1103/PhysRevB.94.085151>. <hal-01362094>.
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Y. Perrin, B. Canals, and N. Rougemaille, "Vertex micromagnetic energy in artificial square ice," Proceedings of SPIE, the International Society for Optical Engineering, vol. 9931, pp. 993110, 2016. <10.1117/12.2238580>. <hal-01889044>.
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Y. Perrin, B. Canals, and N. Rougemaille, "Extensive degeneracy, Coulomb phase and magnetic monopoles in artificial square ice," Nature, vol. 540, no. 7633, pp. 410 - 413, Dec. 2016. <10.1038/nature20155>. <hal-01765279>.
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S. Petit, E. Lhotel, B. Canals, M. Ciomaga Hatnean, J. Ollivier, H. Mutka, E. Ressouche, A. Wildes, M. R. Lees, and G. Balakrishnan, "Observation of magnetic fragmentation in spin ice," Nature Physics, vol. 12, no. 8, pp. 746, 2016. <10.1038/nphys3710>. <hal-01342982>.
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D. Reyes, M. A. Continentino, C. Thomas, and C. Lacroix, "s-and d-wave superconductivity in a two-band model," Annals of Physics, vol. 373, pp. 257-272, Oct. 2016. <10.1016/j.aop.2016.07.020>. <hal-01990425>.
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M. Saubanère, M. B. Lepetit, and G. Pastor, "Interaction-energy functional of the Hubbard model: Local formulation and application to low-dimensional lattices," Physical Review B : Condensed matter and materials physics, vol. 94, no. 4, pp. 045102, Jul. 2016. <10.1103/PhysRevB.94.045102>. <hal-01981361>.
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C. P. Silva De Farias, C. Thomas, C. Pépin, A. Ferraz, C. Lacroix, and S. Burdin, "Spin liquid versus long range magnetic order in the frustrated body-centered tetragonal lattice," Physical Review B : Condensed matter and materials physics, vol. 94, no. 13, pp. 134410, Oct. 2016. <10.1103/PhysRevB.94.134420>. <hal-01396667>.
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Z. Yong, P. E. Trevisanutto, L. Chiodo, I. Santoso, A. R. Barman, T. C. Asmara, S. Dhar, A. Kotlov, A. Terentjevs, F. Della Sala, V. Olevano, M. Rübhausen, T. Venkatesan, and A. Rusydi, "Emerging giant resonant exciton induced by Ta-substitution in anatase TiO$\_2$: a tunable correlation effect," Physical Review B : Condensed matter and materials physics, vol. 93, no. 20, pp. 205118, 2016. <10.1103/PhysRevB.93.205118>. <hal-01558399>.

2015

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A. A. Aligia, P. Roura-Bas, and S. Florens, "Impact of capacitance and tunneling asymmetries on Coulomb blockade edges and Kondo peaks in nonequilibrium transport through molecular quantum dots," Physical Review B : Condensed matter and materials physics, vol. 92, no. 3, pp. 035404, Jul. 2015. <10.1103/PhysRevB.92.035404>. <hal-01225841>.
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C. Attaccalite, A. Nguer, E. Cannuccia, and M. Grüning, "Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body cal-culations," Physical Chemistry Chemical Physics, vol. 17, no. 14, pp. 9533-9540, Feb. 2015. <10.1039/c5cp00601e>. <hal-01230829>.
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V. Balédent, S. Chattopadhyay, P. Fertey, M. Lepetit, M. Greenblatt, B. Wanklyn, F. Saouma, J. Jang, and P. Foury-Leylekian, "Evidence for Room Temperature Electric Polarization in R M n 2 O 5 Multiferroics," Physical Review Letters, vol. 114, no. 11, pp. 117601, Mar. 2015. <10.1103/PhysRevLett.114.117601>. <hal-01764734>.
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S. Bera, N. Gheeraert, S. Fratini, S. Ciuchi, and S. Florens, "Impact of quantized vibrations on the efficiency of interfacial charge separation in photovoltaic devices," Physical Review B : Condensed matter and materials physics, vol. 91, no. 4, pp. 041107(R), Jan. 2015. <10.1103/PhysRevB.91.041107>. <hal-01219127>.
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B. Bernhard, and C. Lacroix, "Coexistence of magnetic order and Kondo effect in the Kondo-Heisenberg model," Physical Review B : Condensed matter and materials physics, vol. 92, no. 9, pp. 094401, Sep. 2015. <10.1103/PhysRevB.92.094401>. <hal-01872488>.
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N. Dardenne, X. Blase, G. Hautier, J.-C. Charlier, and G.-M. Rignanese, "Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries," Journal of Physical Chemistry C, vol. 119, no. 41, pp. 23373 - 23378, Oct. 2015. <10.1021/acs.jpcc.5b07886>. <hal-01874536>.
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C. Faber, P. Boulanger, C. Attaccalite, E. Cannuccia, I. Duchemin, T. Deutsch, and X. Blase, "Exploring approximations to the GW self-energy ionic gradients," Physical Review B : Condensed matter and materials physics, vol. 91, no. 15, pp. 155109, Apr. 2015. <10.1103/PhysRevB.91.155109>. <hal-01110455>.
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D. Feinberg, T. Jonckheere, J. Rech, T. Martin, B. Douçot, and R. Mélin, "Quartets and the current-phase structure of a double quantum dot superconducting bijunction at equilibrium," European Physical Journal B: Condensed Matter and Complex Systems, vol. 88, no. 4, pp. 99, Apr. 2015. <10.1140/epjb/e2015-50849-3>. <hal-01233729>.
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C. Février, S. Fratini, and A. Ralko, "Multi-orbital kinetic effects on charge ordering of frustrated electrons on the triangular lattice," Physical Review B : Condensed matter and materials physics, vol. 91, no. 24, pp. 245111, Jun. 2015. <10.1103/PhysRevB.91.245111>. <hal-01219133>.
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S. Florens, and I. Snyman, "Universal spatial correlations in the anisotropic Kondo screening cloud: analytical insights and numerically exact results from a coherent state expansion," Physical Review B : Condensed matter and materials physics, vol. 92, no. 19, pp. 195106, 2015. <10.1103/PhysRevB.92.195106>. <hal-01225828>.
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P. K. Gogoi, L. Sponza, D. Schmidt, T. C. Asmara, C. Diao, J. C. W. Lim, S. M. Poh, S.-I. Kimura, P. E. Trevisanutto, V. Olevano, and A. Rusydi, "Anomalous excitons and screenings unveiling strong electronic correlations in SrTi 1 -- x Nb x O 3 ( 0 $\le$ x $\le$ 0.005 )," Physical Review B : Condensed matter and materials physics, vol. 92, no. 3, pp. 035119, 2015. <10.1103/PhysRevB.92.035119>. <hal-01558404>.
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B. Grenier, S. Petit, V. Simonet, E. Canévet, L.-P. Regnault, S. Raymond, B. Canals, C. Berthier, and P. Lejay, "Erratum: Longitudinal and Transverse Zeeman Ladders in the Ising-Like Chain Antiferromagnet BaCo 2 V 2 O 8 [Phys. Rev. Lett. 114 , 017201 (2015)]," Physical Review Letters, vol. 115, no. 11, pp. 119902, Sep. 2015. <10.1103/PhysRevLett.115.119902>. <hal-01947538>.
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B. Grenier, S. Petit, V. Simonet, E. Canévet, L.-P. Regnault, S. Raymond, B. Canals, C. Berthier, and P. Lejay, "Longitudinal and transverse Zeeman ladders in the Ising-like chain antiferromagnet BaCo2V2O8," Physical Review Letters, vol. 114, no. 1, pp. 017201, Jan. 2015. <10.1103/PhysRevLett.114.017201>. <hal-01110426>.
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T. Hahn, J. Geiger, X. Blase, I. Duchemin, D. Niedzialek, S. Tscheuschner, D. Beljonne, H. Baessler, and A. Koehler, "Does Excess Energy Assist Photogeneration in an Organic Low-Bandgap Solar Cell?," Advanced Functional Materials, vol. 25, no. 8, pp. 1287-1295, 2015. <10.1002/adfm.201403784>. <hal-01611030>.
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D. Jacquemin, I. Duchemin, and X. Blase, "Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set," Journal of Chemical Theory and Computation, vol. 11, no. 7, pp. 3290-3304, 2015. <10.1021/acs.jctc.5b00304>. <hal-01611291>.
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D. Jacquemin, I. Duchemin, and X. Blase, "0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds," Journal of Chemical Theory and Computation, vol. 11, no. 11, pp. 5340-5359, 2015. <10.1021/acs.jctc.5b00619>. <hal-01611292>.
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S. Körbel, D. Kammerlander, R. Sarmiento-Pérez, C. Attaccalite, M. A. Lopes Marques, and S. Botti, "Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation," Physical Review B : Condensed matter and materials physics, vol. 91, no. 7, pp. 075134, 2015. <10.1103/PhysRevB.91.075134>. <hal-01230827>.
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K. Kummer, S. Patil, A. Chikina, M. Guettler, M. Hoeppner, A. Generalov, S. Danzenbaecher, S. Seiro, A. Hannaske, C. Krellner, Y. Kucherenko, M. Shi, M. Radovic, E. Rienks, G. Zwicknagl, K. Matho, J. W. Allen, C. Laubschat, C. Geibel, and D. V. Vyalikh, "Temperature-Independent Fermi Surface in the Kondo Lattice YbRh2Si2," Physical Review X, vol. 5, no. 1, pp. 011028, 2015. <10.1103/PhysRevX.5.011028>. <hal-01572722>.
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S. Mahmoudian, L. Rademaker, A. Ralko, S. Fratini, and V. Dobrosavljevic, "Glassy Dynamics in Geometrically Frustrated Coulomb Liquids without Disorder," Physical Review Letters, vol. 115, no. 2, pp. 025701, Jul. 2015. <10.1103/PhysRevLett.115.025701>. <hal-01219136>.
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D. Niedzialek, I. Duchemin, T. B. D. Queiroz, S. Osella, A. Rao, R. Friend, X. Blase, S. Kuemmel, and D. Beljonne, "First Principles Calculations of Charge Transfer Excitations in Polymer-Fullerene Complexes: Influence of Excess Energy," Advanced Functional Materials, vol. 25, no. 13, pp. 1972-1984, 2015. <10.1002/adfm.201402682>. <hal-01616549>.
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C. Padurariu, T. Jonckheere, J. Rech, R. Mélin, D. Feinberg, T. Martin, and Y. V. Nazarov, "Closing the proximity gap in a metallic Josephson junction between three superconductors," Physical Review B : Condensed matter and materials physics, vol. 92, no. 20, pp. 205409, Nov. 2015. <10.1103/PhysRevB.92.205409>. <hal-01233745>.
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Y. Perrin, I. A. Chioar, V. B. Nguyen, D. Lacour, M. Hehn, F. Montaigne, B. Canals, N. Rougemaille, H.-J. Drouhin, J.-E. Wegrowe, and M. Razeghi, "Artificial frustrated spin systems," Proceedings of SPIE, the International Society for Optical Engineering, vol. 9551, pp. 95511R, Aug. 2015. <10.1117/12.2190322>. <hal-02007407>.
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L. Rademaker, A. Ralko, S. Fratini, and V. Dobrosavljevi\'c, "Avoiding Stripe Order: Emergence of the Supercooled Electron Liquid," Journal of Superconductivity and Novel Magnetism, vol. 29, no. 3, pp. 601-604, 2015. <10.1007/s10948-015-3310-4>. <hal-01907882>.
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A. Ralko, J. Merino, and S. Fratini, "Pinball liquid phase from Hund's coupling in frustrated transition-metal oxides," Physical Review B : Condensed matter and materials physics, vol. 91, no. 16, pp. 165139, Apr. 2015. <10.1103/PhysRevB.91.165139>. <hal-01219131>.
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A. Ralko, and I. Rousochatzakis, "Resonating-Valence-Bond Physics Is Not Always Governed by the Shortest Tunneling Loops," Physical Review Letters, vol. 115, no. 16, pp. 167202, Oct. 2015. <10.1103/PhysRevLett.115.167202>. <hal-01874533>.
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T. Rangel, G.-M. Rignanese, and V. Olevano, "Can molecular projected density-of-states (PDOS) be systematically used in electronic conductance analysis?," Beilstein Journal of Nanotechnology, vol. 6, pp. 1247-1259, 2015. <10.3762/bjnano.6.128>. <hal-01558387>.
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J. Ranninger, "Dynamical Local Lattice Instability Triggered High Tc Superconductivity," Acta Physica Polonica A, vol. 127, no. 2, pp. 176 - 184, Feb. 2015. <10.12693/APhysPolA.127.176>. <hal-01734791>.
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J. Robert, E. Lhotel, G. Remenyi, S. Sahling, I. Mirebeau, C. Decorse, B. Canals, and S. Petit, "Spin dynamics in the presence of competing ferromagnetic and antiferromagnetic correlations in Yb2Ti2O7," Physical Review B : Condensed matter and materials physics, vol. 92, no. 6, pp. 064425, 2015. <10.1103/PhysRevB.92.064425>. <hal-01221620>.
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V. Simonet, B. Canals, P. Lejay, M. Klanjsek, M. Horvatic, and C. Berthier, "Neutron diffraction investigation of the H--T phase diagram above the longitudinal incommensurate phase of BaCo2V2O8," Physical Review B : Condensed matter and materials physics, vol. 92, no. 13, pp. 134416, Oct. 2015. <10.1103/PhysRevB.92.134416>. <hal-01263860>.
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I. Snyman, and S. Florens, "Robust Josephson-Kondo screening cloud in circuit quantum electrodynamics," Physical Review B : Condensed matter and materials physics, vol. 92, no. 8, pp. 085131, Aug. 2015. <10.1103/PhysRevB.92.085131>. <hal-01225837>.
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C. Toulouse, M. Cazayous, S. De Brion, F. Levy-Bertrand, H. Barkaoui, P. Lejay, L. Chaix, M.-B. Lepetit, J. B. Brubach, and P. Roy, "Phonons in the multiferroic langasite Ba3NbFe3Si2O14 : evidences for symmetry breaking," Physical Review B : Condensed matter and materials physics, vol. 92, no. 10, pp. 104302, Sep. 2015. <10.1103/PhysRevB.92.104302>. <hal-01186067>.

2014

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G. Antonius, S. Poncé, P. Boulanger, M. Côté, and X. Gonze, "Many-Body Effects on the Zero-Point Renormalization of the Band Structure," Physical Review Letters, vol. 112, no. 21, pp. 215501, May. 2014. <10.1103/PhysRevLett.112.215501>. <hal-01334796>.
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S. Bera, A. Nazir, A. W. Chin, H. U. Baranger, and S. Florens, "Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system," Physical Review B : Condensed matter and materials physics, vol. 90, no. 7, pp. 075110, Aug. 2014. <10.1103/PhysRevB.90.075110>. <hal-01225842>.
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S. Bera, S. Florens, H. U. Baranger, N. Roch, A. Nazir, and A. W. Chin, "Stabilizing Spin Coherence Through Environmental Entanglement in Strongly Dissipative Quantum Systems," Physical Review B : Condensed matter and materials physics, vol. 89, no. 12, pp. 121108, 2014. <10.1103/PhysRevB.89.121108>. <hal-00985086>.
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P. Boulanger, S. Chibani, B. Le Guennic, I. Duchemin, X. Blase, and D. Jacquemin, "Combining the Bethe--Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples," Journal of Chemical Theory and Computation, vol. 10, no. 10, pp. 4548-4556, Oct. 2014. <10.1021/ct500552e>. <hal-01088589>.
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P. Boulanger, D. Jacquemin, I. Duchemin, and X. Blase, "Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach," Journal of Chemical Theory and Computation, vol. 10, no. 3, pp. 1212-1218, Feb. 2014. <10.1021/ct401101u>. <hal-00959976>.
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O. Cepas, "Multiple time scales from hard local constraints: glassiness without disorder," Physical Review B : Condensed matter and materials physics, vol. 90, no. 6, pp. 064404, Aug. 2014. <10.1103/PhysRevB.90.064404>. <hal-01367454>.
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I. Chioar, N. Rougemaille, A. Grimm, O. Fruchart, E. Wagner, M. Hehn, D. Lacour, F. Montaigne, and B. Canals, "Non-universality of artificial frustrated spin systems," Physical Review B : Condensed matter and materials physics, vol. 90, no. 6, pp. 064411, Aug. 2014. <10.1103/PhysRevB.90.064411>. <hal-01053225>.
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I. Chioar, B. Canals, D. Lacour, M. Hehn, B. S. Burgos, T. O. Mentes, A. Locatelli, F. Montaigne, and N. Rougemaille, "Kinetic pathways to the magnetic charge crystal in artificial dipolar spin ice," Physical Review B : Condensed matter and materials physics, vol. 90, no. 22, pp. 220407(R), Dec. 2014. <10.1103/PhysRevB.90.220407>. <hal-01159649>.
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C. Faber, P. Boulanger, C. Attaccalite, I. Duchemin, and X. Blase, "Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms," Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences (1934--1990), vol. 372, no. 2011, pp. 20130271, Feb. 2014. <10.1098/rsta.2013.0271>. <hal-00978401>.
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D. Feinberg, and C. A. Balseiro, "Spontaneous vortex state and $\varphi$-junction in a superconducting bijunction with a localized spin," Physical Review B : Condensed matter and materials physics, vol. 90, no. 7, pp. 075432, Aug. 2014. <10.1103/PhysRevB.90.075432>. <hal-00997570>.
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K. Ferhat, and A. Ralko, "Phase diagram of the 1/3-filled extended Hubbard model on the Kagome lattice," Physical Review B : Condensed matter and materials physics, vol. 89, no. 15, pp. 155141, 2014. <10.1103/PhysRevB.89.155141>. <hal-01332808>.
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S. Fratini, S. Ciuchi, and D. Mayou, "Phenomenological model for charge dynamics and optical response of disordered systems: Application to organic semiconductors," Physical Review B : Condensed matter and materials physics, vol. 89, no. 23, pp. 235201, Jun. 2014. <10.1103/PhysRevB.89.235201>. <hal-01219122>.
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D. Gosselin, G. Hornecker, R. Mélin, and D. Feinberg, "Phase-sensitive transport at a normal metal-superconductor interface close to a Josephson junction," Physical Review B : Condensed matter and materials physics, vol. 89, no. 7, pp. 075415, Feb. 2014. <10.1103/PhysRevB.89.075415>. <hal-00979481>.
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M. Grüning, and C. Attaccalite, "Second Harmonic Generation in h-BN and MoS$\_2$ monolayers: the role of electron-hole interaction," Physical Review B : Condensed matter and materials physics, vol. 89, no. 8, pp. 081102, Feb. 2014. <10.1103/PhysRevB.89.081102>. <hal-00935297>.
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C. Guedj, L. Hung, A. Zobelli, P. Blaise, F. Sottile, and V. Olevano, "Evidence for anisotropic dielectric properties of monoclinic hafnia using high-resolution TEM valence electron energy-loss spectroscopy and ab initio time-dependent density-functional theory," Applied Physics Letters, vol. 105, no. 22, pp. 222904, 2014. <10.1063/1.4903218>. <hal-01094623>.
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V. Häfner, J. Schindler, N. Weik, T. Mayer, S. Balakrishnan, R. Narayanan, S. Bera, and F. Evers, "Density of States in Graphene with Vacancies: Midgap Power Law and Frozen Multifractality," Physical Review Letters, vol. 113, no. 18, pp. 186802, Oct. 2014. <10.1103/PhysRevLett.113.186802>. <hal-01379305>.
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D. Hernangomez-Perez, S. Florens, and T. Champel, "Signatures of Rashba Spin-Orbit Interaction in Charge and Spin Properties of Quantum Hall Systems," Physical Review B : Condensed matter and materials physics, vol. 89, no. 15, pp. 155314, Apr. 2014. <10.1103/PhysRevB.89.155314>. <hal-00965294>.
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S. Körbel, P. Boulanger, I. Duchemin, X. Blase, M. A. L. Marques, and S. Botti, "Benchmark Many-Body GW and Bethe--Salpeter Calculations for Small Transition Metal Molecules," Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3934-3943, Sep. 2014. <10.1021/ct5003658>. <hal-01369065>.
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I. A. Kovács, J.-C. A. D'auriac, and F. Iglói, "Excess entropy and central charge of the two-dimensional random-bond Potts model in the large-Q limit," Journal of Statistical Mechanics: Theory and Experiment, pp. P09019, 2014. <10.1088/1742-5468/2014/09/P09019>. <hal-01369082>.
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R. Mélin, D. Feinberg, H. Courtois, C. Padurariu, A. Pfeffer, J. E. Duvauchelle, F. Lefloch, T. Jonckheere, J. Rech, T. Martin, and B. Douçot, "D.C. Josephson transport by quartets and other Andreev resonances in superconducting bijunctions," Journal of Physics: Conference Series, vol. 568, no. 5, pp. 052006, 2014. <10.1088/1742-6596/568/5/052006>. <hal-01057351>.
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N. A. Minder, S. Lu, S. Fratini, S. Ciuchi, A. Facchetti, and A. F. Morpurgo, "Tailoring the molecular structure to suppress extrinsic disorder in organic transistors," Advanced Materials, vol. 26, no. 8, pp. 1254-1260, 2014. <10.1002/adma.201304130>. <hal-00865402>.
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S. Mohr, L. E. Ratcliff, P. Boulanger, L. Genovese, D. Caliste, T. Deutsch, and S. Goedecker, "Daubechies Wavelets for Linear Scaling Density Functional Theory," Journal of Chemical Physics, vol. 140, no. 20, pp. 204110, 2014. <10.1063/1.4871876>. <hal-01334186>.
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F. Montaigne, D. Lacour, I. Chioar, N. Rougemaille, D. Louis, S. M. Murtry, H. Riahi, B. S. Burgos, T. O. Mentes, A. Locatelli, B. Canals, and M. Hehn, "Size distribution of magnetic charge domains in thermally activated but out-of-equilibrium artificial spin ice," Scientific Reports, vol. 4, pp. 5702, Jul. 2014. <10.1038/srep05702>. <hal-01159660>.
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V. Olevano, M. Cazzaniga, M. Ferri, L. Caramella, and G. Onida, "Comment on ''Charge-Density Wave and Superconducting Dome in TiSe2 from Electron-Phonon Interaction''," Physical Review Letters, vol. 112, no. 4, pp. 049701, 2014. <hal-00951397>.
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C. Paulsen, M. J. Jackson, E. Lhotel, B. Canals, D. Prabhakaran, K. Matsuhira, S. R. Giblin, and S. T. Bramwell, "Far-from-equilibrium monopole dynamics in spin ice," Nature Physics, vol. 10, no. 2, pp. 135, 2014. <10.1038/nphys2847>. <hal-00940300>.
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A. H. Pfeffer, J. E. Duvauchelle, H. Courtois, R. Mélin, D. Feinberg, and F. Lefloch, "Subgap structure in the conductance of a three-terminal Josephson junction," Physical Review B : Condensed matter and materials physics, vol. 90, no. 7, pp. 075401, Aug. 2014. <10.1103/PhysRevB.90.075401>. <cea-01054613>.
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S. Poncé, G. Antonius, P. Boulanger, E. Cannuccia, A. Marini, M. Côté, and X. Gonze, "Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron--phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo," Computational Materials Science, vol. 83, pp. 341-348, 2014. <10.1016/j.commatsci.2013.11.031>. <hal-01330356>.
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S. Poncé, G. Antonius, Y. Gillet, P. Boulanger, J. Laflamme Janssen, A. Marini, M. Côté, and X. Gonze, "The temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation," Physical Review B : Condensed matter and materials physics, vol. 90, no. 21, pp. 214304, Aug. 2014. <10.1103/PhysRevB.90.214304>. <hal-01431180>.
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J. Rech, T. Jonckheere, T. Martin, B. Douçot, D. Feinberg, and R. Mélin, "A Proposal for the observation of nonlocal multipair production: the biSQUID," Physical Review B : Condensed matter and materials physics, vol. 90, no. 7, pp. 075419, Aug. 2014. <10.1103/PhysRevB.90.075419>. <hal-01367600>.
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A. Reserbat-Plantey, D. Kalita, Z. Han, L. Ferlazzo, S. Autier-Laurent, K. Komatsu, C. Li, R. Weil, A. Ralko, L. Marty, S. Guéron, N. Bendiab, H. Bouchiat, and V. Bouchiat, "Strain Superlattices and Macroscale Suspension of Graphene Induced by Corrugated Substrates," Nano Letters, vol. 14, no. 9, pp. 5044, Aug. 2014. <10.1021/nl5016552>. <hal-01078711>.
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K. Singh, C. Simon, E. Cannuccia, M.-B. Lepetit, B. Corraze, E. Janod, and L. Cario, "Orbital-Ordering-Driven Multiferroicity and Magnetoelectric Coupling in GeV4S8," Physical Review Letters, vol. 113, no. 13, pp. 137602, Sep. 2014. <10.1103/PhysRevLett.113.137602>. <hal-01369148>.
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M. Taillefumier, J. Robert, C. L. Henley, R. Moessner, and B. Canals, "Semi-classical spin dynamics of the antiferromagnetic Heisenberg model on the kagome lattice," Physical Review B : Condensed matter and materials physics, vol. 90, no. 6, pp. 064419, Aug. 2014. <10.1103/PhysRevB.90.064419>. <hal-01367486>.
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C. Thomas, A. S. Da Rosa Simões, C. S. Lacroix, J. S. Roberto Iglesias, and B. S. Coqblin, "Effect of anisotropy in the S=1 underscreened Kondo lattice," Journal of Magnetism and Magnetic Materials, vol. 372, pp. 247 - 252, Dec. 2014. <10.1016/j.jmmm.2014.07.028>. <hal-01430863>.
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F. Trousselet, P. Rueda-Fonseca, and A. Ralko, "Competing supersolids of Bose-Bose mixtures in a triangular lattice," Physical Review B : Condensed matter and materials physics, vol. 89, no. 8, pp. 085104, 2014. <10.1103/PhysRevB.89.085104>. <hal-01331231>.
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F. Trousselet, P. Horsch, A. M. Ole\'s, and W.-L. You, "Hole propagation in the Kitaev-Heisenberg model: From quasiparticles in quantum Néel states to non-Fermi liquid in the Kitaev phase," Physical Review B : Condensed matter and materials physics, vol. 90, no. 2, pp. 024404, Jul. 2014. <10.1103/PhysRevB.90.024404>. <hal-01341197>.
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Z. Wang, D. Kamenskyi, O. Cepas, M. Schmidt, D. L. Quintero-Castro, A. T. M. N. Islam, B. Lake, A. A. Aczel, H. A. Dabkowska, A. B. Dabkowski, G. M. Luke, Y. Wan, A. Loidl, M. Ozerov, J. Wosnitza, S. A. Zvyagin, and J. Deisenhofer, "High-field spectroscopy of singlet-triplet transitions in the spin-dimer systems Sr3Cr2O8 and Ba3Cr2O8," Physical Review B : Condensed matter and materials physics, vol. 89, no. 17, pp. 1774406, 2014. <10.1103/PhysRevB.89.174406>. <hal-00989668>.
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H. Yada, R. Uchida, H. Sekine, T. Terashige, S. Tao, Y. Matsui, N. Kida, S. Fratini, S. Ciuchi, Y. Okada, T. Uemura, J. Takeya, and H. Okamoto, "Carrier dynamics of rubrene single-crystals revealed by transient broadband terahertz spectroscopy," Applied Physics Letters, vol. 105, no. 14, pp. 143302, 2014. <10.1063/1.4897530>. <hal-01219143>.
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H. Zheng, S. Florens, and H. U. Baranger, "Transport signatures of Majorana quantum criticality realized by dissipative resonant tunneling," Physical Review B : Condensed matter and materials physics, vol. 89, no. 23, pp. 235135, Jun. 2014. <10.1103/PhysRevB.89.235135>. <hal-01225844>.
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F. Zimmer, C. Silva, S. Magalhaes, and C. Lacroix, "Interplay between spin-glass clusters and geometrical frustration," Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, vol. 89, no. 2, pp. 02210, Feb. 2014. <10.1103/PhysRevE.89.022120>. <hal-00949042>.

Conference papers

2017

ref_biblio
V. Pierron Bohnes, N. Westbrook, C. Champenois, C. Lacroix, P. Launois, M.-A. Méasson, M. Spiro, and A. Taieb, "Charter for gender fairness at conferences (Poster)," in ICWIP International Conference on Women in Physics, Birmingham, United Kingdom, Jul. 2017. <hal-01706718>.

Book sections

2018

ref_biblio
V. Olevano, "TDDFT, excitations and spectroscopy," in Structures on different time scales, De Gruyter, 2018, pp. 101-142. <10.1515/9783110433920>. <hal-02006713>.

2015

ref_biblio
C. Arnold, M.-F. Beaufort, L. Bertrand, X. Blase, C. Boeglin, J. Colin, J.-M. Di Meglio, M. Drouet, J.-C. Géminard, A. Guarino, H. Henry, M. Hÿtch, M.-A. Languille, E. Lemaire, P. Levitz, P. Pareige, N. Rougemaille, P. Ruello, A. Tourin, A. Viallat, and B. Warot-Fonrose, "Matière condensée : organisation et dynamique," in Rapport de conjoncture du comité national de la recherche scientifique : Édition 2014, CNRS Éditions, 2015. <hal-01461528>.

Preprints, Working Papers, ...

2019

ref_biblio
S. Bera, B. Chakrabarti, A. Gammal, M. C. Tsatsos, M. L. Lekala, B. Chatterjee, C. Lévêque, and A. U. J. U. J. Lode, "Sorting Fermionization from Crystallization in Many-Boson Wavefunctions," unpublished, Nov. 2019. <hal-02370328>.
ref_biblio
S. Giri, A. M. Dudzinski, J. C. Tremblay, and G. Dixit, "Probing molecular chirality via laser-induced electronic fluxes," unpublished, Oct. 2019. <hal-02332717>.
ref_biblio
T. Lugan, L. Jaubert, and A. Ralko, "Topological Nematic Spin Liquid on the Square-Kagome Lattice," unpublished, Aug. 2019. <hal-02265928>.
ref_biblio
C.-C. J. Wang, J.-P. Julien, A. V. Balatsky, and J.-X. Zhu, "Local Electronic Structure around a Single Impurity in an Anderson Lattice Model for Topological Kondo Insulators," unpublished, Mar. 2019. <hal-02072491>.

2018

ref_biblio
C. Schindler, S. Guin, W. Schnelle, N. Kumar, C. Fu, H. Borrmann, C. Shekhar, Y. Zhang, Y. Sun, C. Felser, T. Meng, A. Grushin, and J. Gooth, "Observation of an anomalous heat current in a Weyl fermion semimetal," unpublished, Oct. 2018. <hal-01902933>.

2017

ref_biblio
D. Timerkaeva, C. Attaccalite, G. Brenet, D. Caliste, and P. Pochet, "What is the nature of the C-C complex in silicon? Insights from electronic structure calculations," unpublished, Nov. 2017. <hal-01635491>.