Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Gabriel Antonius"'
Publikováno v:
Physical Review Research, Vol 2, Iss 4, p 043296 (2020)
We reveal polaron signatures in the spectral function of n-doped SrTiO_{3} and ZnO through first-principles interacting Green's function calculations. In SrTiO_{3} we observe a clear replica band at 94 meV below the conduction band, which shows that
Externí odkaz:
https://doaj.org/article/03b97aada2124f49bdfd65b86193bc2f
Publikováno v:
Physical Review Research, Vol 2, Iss 2, p 023185 (2020)
A topological phase transition from a trivial insulator to a Z_{2} topological insulator requires the bulk band gap to vanish. In the case of noncentrosymmetric materials, these phases are separated by a gapless Weyl semimetal phase. However, at fini
Externí odkaz:
https://doaj.org/article/da18717f9dcd4bcba4cec45a554278b1
Autor:
Gabriel Antonius, Steven G. Louie
Publikováno v:
Physical Review B, vol 105, iss 8
The effects of the electron-phonon interaction on optical excitations can be understood in terms of exciton-phonon coupling, and require a careful treatment in low-dimensional materials with strongly bound excitons or strong electron-hole interaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b7f969ec8c8d39985bce529a784db60
https://escholarship.org/uc/item/3kd7d1w3
https://escholarship.org/uc/item/3kd7d1w3
Autor:
Emma C. Regan, Steven G. Louie, Rahmatollah Eskandari, Amin Azizi, Alex Zettl, Gabriel Antonius, Feng Wang, Salman Kahn
Publikováno v:
Nano Letters. 19:1782-1787
Alloying two-dimensional (2D) semiconductors provides a powerful method to tune their physical properties, especially those relevant to optoelectronic applications. However, as the crystal structure becomes more complex, it becomes increasingly diffi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ca062ada71dae57598602a259ea2975
https://doi.org/10.1021/acs.nanolett.8b04802
https://doi.org/10.1021/acs.nanolett.8b04802
Publikováno v:
Physical Review Research. 2
This paper studies electron-phonon coupling from first-principles using Green's function methods.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed0672fdf7fa31e74fe7c3e9883f4ea8
https://doi.org/10.1103/physrevresearch.2.043296
https://doi.org/10.1103/physrevresearch.2.043296
Autor:
Véronique Brousseau-Couture, Steven G. Louie, Xavier Gonze, Gabriel Antonius, Emile Godbout, Matteo Giantomassi, Yang-Hao Chan, Anna Miglio, Michel Côté
Publikováno v:
npj Computational Materials, vol 6, iss 1
npj Computational Materials, Vol. 6, no.1, p. 167 (2020)
npj Computational Materials, Vol 6, Iss 1, Pp 1-8 (2020)
npj Computational Materials, Vol. 6, no.1, p. 167 (2020)
npj Computational Materials, Vol 6, Iss 1, Pp 1-8 (2020)
Electronic and optical properties of materials are affected by atomic motion through the electron-phonon interaction: not only band gaps change with temperature, but even at absolute zero temperature, zero-point motion causes band-gap renormalization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9eba2400b12cae16f7a1200b2957fd2a
https://doi.org/10.1038/s41524-020-00434-z
https://doi.org/10.1038/s41524-020-00434-z
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:
Tonatiuh Rangel, Mauro Del Ben, Daniele Varsano, Gabriel Antonius, Fabien Bruneval, Felipe H. da Jornada, Michiel J. van Setten, Okan K. Orhan, David D. O’Regan, Andrew Canning, Andrea Ferretti, Andrea Marini, Gian-Marco Rignanese, Jack Deslippe, Steven G. Louie, Jeffrey B. Neaton
Publikováno v:
Computer Physics Communications
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=r3c4b2081b22::61712fb6e0e0b823f6134cc530f7b5d1
Publikováno v:
Physical Review Letters. 122
We present a new first-principles linear-response theory of changes due to perturbations in the quasiparticle self-energy operator within the GW method. This approach, named GW perturbation theory (GWPT), is applied to calculate the electron-phonon (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a448ea257fe93ed2ae6c40422e28cdcb
https://doi.org/10.1103/physrevlett.122.186402
https://doi.org/10.1103/physrevlett.122.186402