Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Jordan Bieder"'
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-6 (2017)
Applications of rare-earth nickelates are hampered by lack of global understanding of the interplay among various degrees of freedom. Here, Mercy et al. propose that the metal-insulator transition of nickelates arises from the softening of an oxygen
Externí odkaz:
https://doaj.org/article/d84f7e7b5c4b4a36a58ac81d6119a7cb
Autor:
Eric Bousquet, Emma E. McCabe, Philippe Ghosez, Jordan Bieder, P. S. Halasyamani, Hania Djani, Weiguo Zhang, Antonio Feteira
Publikováno v:
Physical Review B. 101
Ferroelectric tungsten-based Aurivillius oxides are naturally stable superlattice structures, in which A-site deficient perovskite blocks [WnO3n+1]−2 (n=1,2,3,⋯) interleave with fluorite-like bismuth oxide layers [Bi2O2]+2 along the c-axis. In th
Based on the electronic band structure obtained from first-principles Hubbard corrected $U$ density functional theory $(\mathrm{DFT}+U)$ calculations, the optical spectra of yttrium and neodymium nickelates are computed. We show that the results are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c45a3f5d3543ccadf5c37909b2e8d1a
http://arxiv.org/abs/2004.01100
http://arxiv.org/abs/2004.01100
Autor:
Marc Torrent, Nicholas A. Pike, Fabien Bruneval, Henrique Pereira Coutada Miranda, Alessandra Romero, Fabio Ricci, Matteo Giantomassi, Alexandre Martin, Xavier Gonze, Yannick Gillet, Massimiliano Stengel, Lucas Baguet, François Bottin, Francesco Naccarato, Benoit Van Troeye, Tonatiuh Rangel, Olivier Gingras, Guido Petretto, Eric Bousquet, Bernard Amadon, Damien Caliste, Cyrus E. Dreyer, D. R. Hamann, Thomas Applencourt, Guillaume Brunin, Jules Denier, Josef W. Zwanziger, Miquel Royo, Gabriel Antonius, Jordan Bieder, Matthieu J. Verstraete, Julia Wiktor, Valentin Planes, Douglas C. Allan, Gérald Jomard, F. Jollet, Sergei Prokhorenko, Gian-Marco Rignanese, Geoffroy Hautier, Michiel van Setten, Michel Côté, Philippe Ghosez, J. Bouchet
Publikováno v:
The Journal of Chemical Physics, Vol. 152, no.12, p. 124102 (2020)
BASE-Bielefeld Academic Search Engine
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Journal of Chemical Physics
Journal of Chemical Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Journal of Chemical Physics, American Institute of Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Recercat. Dipósit de la Recerca de Catalunya
instname
Digital.CSIC. Repositorio Institucional del CSIC
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
The Journal of Chemical Physics
BASE-Bielefeld Academic Search Engine
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Journal of Chemical Physics
Journal of Chemical Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Journal of Chemical Physics, American Institute of Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Recercat. Dipósit de la Recerca de Catalunya
instname
Digital.CSIC. Repositorio Institucional del CSIC
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
The Journal of Chemical Physics
Paper published as part of the special topic on Electronic Structure Software
ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theor
ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc5f9a012fda203a7866ae56c16c06c9
https://hdl.handle.net/2078.1/228535
https://hdl.handle.net/2078.1/228535
Autor:
Jules Denier, Benoit Van Troeye, Guillaume Brunin, Miguel A. L. Marques, Yann Pouillon, Nicole Helbig, Alessandra Romero, Henrique Pereira Coutada Miranda, Alexandre Martin, William Lafargue-Dit-Hauret, Geoffroy Hautier, Jean-Michel Beuken, Michael Marcus Schmitt, Bernard Amadon, Olivier Gingras, Xavier Gonze, Kurt Lejaeghere, Cyril Martins, Gabriel Antonius, Xu He, Grégory Geneste, Nils Brouwer, Valentin Planes, Frédéric Arnardi, Jordan Bieder, Jean-Baptiste Charraud, J. Bouchet, Francesco Naccarato, Wei Chen, Yongchao Jia, F. Jollet, Kristin A. Persson, Michiel van Setten, Théo Cavignac, Marc Torrent, Fabien Bruneval, Lucas Baguet, Guido Petretto, Michel Côté, Philippe Ghosez, François Bottin, Fabio Ricci, D. R. Hamann, Josef W. Zwanziger, Yannick Gillet, Matthieu J. Verstraete, Gian-Marco Rignanese, Natalie Holzwarth, Sergei Prokhorenko, Eric Bousquet, G. Zérah, Matteo Giantomassi, Stefaan Cottenier
Publikováno v:
Computer Physics Communications, Vol. 248, no.-, p. 107042 (2020)
Computer Physics Communications
Computer Physics Communications, Elsevier, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩
Computer Physics Communications, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩
Computer Physics Communications
Computer Physics Communications, Elsevier, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩
Computer Physics Communications, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩
Abinit is a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles, numerous properties including total energy, electronic structure, vibrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::753ab5b20b4bc5c3f8cd1c1ad1b75100
https://hdl.handle.net/2078.1/225653
https://hdl.handle.net/2078.1/225653
Autor:
Yohan Chatelain, Eric Petit, David Defour, Pablo de Oliveira Castro, Jordan Bieder, Marc Torrent
Publikováno v:
2018 IEEE 25th Symposium on Computer Arithmetic (ARITH)
2018 IEEE 25th Symposium on Computer Arithmetic (ARITH), Jun 2018, Amherst, United States. pp.61-68, ⟨10.1109/ARITH.2018.8464687⟩
ARITH
2018 IEEE 25th Symposium on Computer Arithmetic (ARITH), Jun 2018, Amherst, United States. pp.61-68, ⟨10.1109/ARITH.2018.8464687⟩
ARITH
VeriTracer automatically instruments a code and traces the accuracy of floating-point variables over time. VeriTracer enriches the visual traces with contextual information such as the call site path in which a value was modified. Contextual informat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::336bfacf226bd9ddb5c4f36c66a8c3ce
https://hal.science/hal-01989607
https://hal.science/hal-01989607
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-6 (2017)
Nature Communications
Nature Communications
Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO3, they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition, and a magnetic phase transition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79b7deebb5d929762be7e5cad24ecb75