Zobrazeno 1 - 10
of 53
pro vyhledávání: '"Miquel Royo"'
Autor:
Miquel Royo, Massimiliano Stengel
Publikováno v:
Physical Review X, Vol 12, Iss 1, p 019903 (2022)
Externí odkaz:
https://doaj.org/article/0235b6cfc2224124aa69f445a048c56c
Autor:
Miquel Royo, Massimiliano Stengel
Publikováno v:
Physical Review X, Vol 11, Iss 4, p 041027 (2021)
We develop a fundamental theory of the long-range electrostatic interactions in two-dimensional crystals by performing a rigorous study of the nonanalyticities of the Coulomb kernel. We find that the dielectric functions are best represented by 2×2
Externí odkaz:
https://doaj.org/article/fddace73dd844105b25da7e6fbe4e692
Autor:
Jessica Giro-Paloma, Camila Barreneche, Alex Maldonado-Alameda, Miquel Royo, Joan Formosa, Ana Inés Fernández, Josep M. Chimenos
Publikováno v:
Materials, Vol 12, Iss 13, p 2144 (2019)
Within the thermal energy storage field, one of the main challenges of this study is the development of new enhanced heat storage materials to be used in the building sector. The purpose of this study is the development of alkali-activated cements (A
Externí odkaz:
https://doaj.org/article/d65c2ffca08342d392febf64eb2045f0
Autor:
Miquel Royo, Massimiliano Stengel
Publikováno v:
Physical Review X, Vol 9, Iss 2, p 021050 (2019)
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and nonlinear-response properties of materials from first principles. A notable advantage of DFPT over alternative approaches is the
Externí odkaz:
https://doaj.org/article/9417b7f2672d4672bed0aaacd667bc0f
Autor:
Miquel Royo
In this paper a comparison between the original analog circuit that represents theground truth and the simulation of nonlinear analog circuits using neural networks isperformed. Traditionally the white box approach has provided some good results inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b87eac4e59649a1c11080635b2e05c0c
Autor:
Miquel Royo, Massimiliano Stengel
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
We present the derivation and code implementation of a first-principles methodology to calculate the lattice-mediated contributions to the bulk flexoelectric tensor. The approach is based on our recent analytical long-wavelength extension of density-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6ca69f4a759740e39d8a781a55a4df1
http://arxiv.org/abs/2112.10721v1
http://arxiv.org/abs/2112.10721v1
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
At short length scales phonon transport is ballistic: the thermal resistance of semiconductors and insulators is quantized and length independent. At long length scales, on the other hand, transport is diffusive and resistance arises as a result of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9509aab1a8a77e65a25455b84d214e3
http://hdl.handle.net/10261/233199
http://hdl.handle.net/10261/233199
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Building on recent developments in electronic-structure methods, we define and calculate the flexoelectric response of two-dimensional (2D) materials fully from first principles. In particular, we show that the open-circuit voltage response to a flex
Autor:
Henrique Pereira Coutada Miranda, Matthieu J. Verstraete, Massimiliano Stengel, Miquel Royo, Guillaume Brunin, Matteo Giantomassi, Gian-Marco Rignanese, Geoffroy Hautier, Xavier Gonze
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Physical Review Letters
Physical Review Letters, Vol. 125, no.13, p. 136601 (2020)
instname
Physical Review Letters
Physical Review Letters, Vol. 125, no.13, p. 136601 (2020)
We include the treatment of quadrupolar fields beyond the Fröhlich interaction in the first-principles electron-phonon vertex in semiconductors. Such quadrupolar fields induce long-range interactions that have to be taken into account for accurate p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a208be567f15294110309794311afbf5
http://hdl.handle.net/10261/226649
http://hdl.handle.net/10261/226649
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