141. Electron-lattice interplays in LaMnO3 from canonical Jahn-Teller distortion notations
M. M. Schmitt, Y. Zhang, A. Mercy and Ph. Ghosez, Phys. Rev. B 101, 214304 (2020).
140. Bi2W2O9: a potentially antiferroelectric Aurivillius phase
H. Djani, E. E. McCabe, W. Zhang, P. S. Halasyamani, A. Feteira, J. Bieder, E. Bousquet and Ph. Ghosez, Phys. Rev. B 101, 134113 (2020).
139. ABINIT : overview and focus on selected capabilities
Aldo H. Romero, Douglas C. Allan, Bernard Amadon, Gabriel Antonius,
Thomas Applencourt, Lucas Baguet, Jordan Bieder, François Bottin, Johann
Bouchet, Eric Bousquet, Fabien Bruneval, Guillaume Brunin, Damien Caliste,
Michel Côté, Jules Denier, Cyrus Dreyer, Philippe Ghosez, Matteo Giantomassi,
Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, François
Jollet, Gérald Jomard, Alexandre Martin, Henrique P. C. Miranda, Francesco
Naccarato, Guido Petretto, Nicholas A. Pike, Valentin Planes, Sergei
Prokhorenko, Tonatiuh Rangel, Fabio Ricci, Gian-Marco Rignanese, Miquel Royo,
Massimiliano Stengel, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye,
Matthieu J. Verstraete, Julia Wiktor, Josef W. Zwanziger, and Xavier Gonze,
J. Chem. Phys. 152, 124102 (2020).
138. Self-trapped single electron polaron in WO3 from first-principles
E. Bousquet, H. Hamdi, P. Aguado-Puente, E. K. H. Salje, E. Artacho and Ph. Ghosez, Physical Review Research 2, 012052(R) (2020).
137. Switchable metal-to-half-metal transition at semi-hydrogenated graphene/ferroelectric interface
Y. Zhang, H. Xu, M. Sun, J. Wang and Ph. Ghosez, Nanoscale 12, 5067 (2020).
136. Artificial quantum confinement in LAO/STO heterostructure
M. Caputo, M. Boselli, A. Filippetti, S. Lamal, D. Li, A. Chickina, C. Cancelleri, T. Schmitt, J.-M. Triscone, Ph. Ghosez, S. Gariglio, V. N. Strokov, Phys. Rev. Mater. 4, 035001 (2020).
135. The ABINIT project, impact, environment and recent developments
X. Gonze, B. Amadon, G. Antonius, F. Arnardi, L. Baguet, J.-M. Beuken, J. Bieder, F. Bottin, J. Bouchet, E. Bousquet, N. Brouwer, F. Burneval, G. Brunin, T. Cavignac, J.-B. Charraud, W. Chen, M. Côté, S. Cottenier, J. Denier, G. Geneste, Ph. Ghosez, M. Giantomassi, Y. Gillet, O. Gingras, D. R. Hamann, G. Hautier, He Xu, N. Helbig, N. Holzwarth, Y. Jia, F. jollet, W. Lafargue-dit-Hauret, K. Lejaeghere, M. A. L. Marques, A. Martin, C. Martins, H. P. C. Miranda, F. Naccarato, K. Persson, G. Petretto, V. Planes, Y. pouillon, S. Prokhorenko, F. Ricci, G.-M. Rignanese, A. H. Romero, M. M. Schmitt, M. torrent, M. J. van Setten, B. Van Troeye, M. J. Verstraete, G. Zérah, J. W. Zwanziger, Comput. Phys. Commun. 248, 107042 (2020).
134. Lattice dynamics and Raman spectrum of BaZrO3 single crystals
C. Toulouse, D. Amoroso, C. Xin, Ph. Veber, M. Ciomaga Hatnean, G. Blakrishnan, M. Maglione, Ph. Ghosez, J. Kreisel and M. Guennou, Phys. Rev. B 100, 134102 (2019).
133. Magneto-electric multiferroics: designing new materials from first-principles calculations
J. Varignon, N. C. Bristowe, E. Bousquet and Ph. Ghosez, in Multiferroics: Fundamentals and Applications, Ed. D. Meier, A. Cano and M. Trassin (De Gruyter, 2020). ISBN 978-3-11-058213-0.
132. Magnetic instabilities in doped Fe2YZ full-Heusler thermoelectric compounds
S. Lemal, F. Ricci, D. I. Bilc, M. M. Verstraete and Ph. Ghosez, Phys. Rev. B 100, 161201(R) (2019).
