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pro vyhledávání: '"Chaput, Laurent"'
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet. The phonopy and phono3py codes are widely used open source pho
Externí odkaz:
http://arxiv.org/abs/2301.05784
Autor:
Engel, Manuel, Miranda, Henrique, Chaput, Laurent, Togo, Atsushi, Verdi, Carla, Marsman, Martijn, Kresse, Georg
We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, many zincblende semiconductors, rock-salt and wurtzite oxides, as well
Externí odkaz:
http://arxiv.org/abs/2205.04265
Autor:
Mangold, Claudia, Chen, Shunda, Barbalinardo, Giuseppe, Behler, Joerg, Pochet, Pascal, Termentzidis, Konstantinos, Han, Yang, Chaput, Laurent, Lacroix, David, Donadio, Davide
Publikováno v:
Journal of Applied Physics 127, 244901 (2020)
Germanium manganese compounds exhibit a variety of stable and metastable phases with different stoichiometry. These materials entail interesting electronic, magnetic and thermal properties both in their bulk form and as heterostructures. Here we deve
Externí odkaz:
http://arxiv.org/abs/2005.09591
Publikováno v:
In Journal of Non-Crystalline Solids 1 December 2023 621
Publikováno v:
In Journal of Non-Crystalline Solids 1 October 2021 569
Publikováno v:
Phys. Rev. Lett. 115, 205901 (2015)
Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within a limited
Externí odkaz:
http://arxiv.org/abs/1506.06439
Publikováno v:
Phys. Rev. B 91, 094306 (2015)
Lattice thermal conductivities of zincblende- and wurtzite-type compounds with 33 combinations of elements are calculated with the single-mode relaxation-time approximation and linearized phonon Boltzmann equation from first-principles anharmonic lat
Externí odkaz:
http://arxiv.org/abs/1501.00691
Autor:
Chaput, Laurent
Un module de calcul des coefficients de transport a été implementé, puis appliqué à différents systèmes tels que le zinc pur, les phases MAX 312, les demi-Heusler, ou les Skutterudites. Dans ce travail nous montrons en particulier que des appr
Externí odkaz:
http://tel.archives-ouvertes.fr/tel-00117446
http://tel.archives-ouvertes.fr/docs/00/11/74/46/PDF/these.pdf
http://tel.archives-ouvertes.fr/docs/00/11/74/46/PDF/these.pdf
Thèse de doctorat : Science et ingénierie des matériaux : Vandoeuvre-les-Nancy, INPL : 2006.
Titre provenant de l'écran-titre. Bibliogr.
Titre provenant de l'écran-titre. Bibliogr.
Externí odkaz:
http://www.scd.inpl-nancy.fr/theses/2006_CHAPUT_L.pdf
Autor:
Chaput, Laurent
The frequency dependent phonon Boltzmann equation is transformed to an integral equation over the irreducible part of the Brillouin zone. Simultaneous diagonalization of the collision kernel of that equation and a symmetry crystal class operator allo
Externí odkaz:
http://arxiv.org/abs/1303.4062