Zobrazeno 1 - 10
of 155
pro vyhledávání: '"Jund, Philippe"'
Publikováno v:
In Journal of Non-Crystalline Solids 1 December 2023 621
Autor:
Severin, Jonathan, Jund, Philippe
Publikováno v:
J. Chem. Phys. 146, 054505 (2017)
In this work, we aim to study the thermal properties of materials using classical molecular dynamics simulations and specialized numerical methods. We focus primarily on the thermal conductivity \kappa using non-equilibrium molecular dynamics to stud
Externí odkaz:
http://arxiv.org/abs/1704.08842
Publikováno v:
In Journal of Alloys and Compounds 25 November 2021 883
Publikováno v:
In Journal of Non-Crystalline Solids 1 October 2021 569
Autor:
Hermet, Patrick, Jund, Philippe
Publikováno v:
Journal of Alloys and Compounds 688, 248 (2016)
The microscopic physics behind the lattice thermal conductivity of NiTiSn is investigated using first-principles-based anharmonic lattice dynamics. The calcu lated lattice thermal conductivity of bulk materials (5.3 W/m.K) is in good agreement with t
Externí odkaz:
http://arxiv.org/abs/1607.05558
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Phys. Rev. B 88, 174302 (2013)
We report ab-initio calculations of the stability, lattice dynamics, electronic and thermoelectric properties of cubic La3-yX4 (X=S,Se,Te) materials in view of analyzing their potential for thermoelectric applications. The lanthanum motions are stron
Externí odkaz:
http://arxiv.org/abs/1312.3778
Autor:
Jund, Philippe, Viennois, Romain, Colinet, Catherine, Hug, Gilles, Fevre, Mathieu, Tedenac, Jean-Claude
Publikováno v:
Journal of Physics: Condensed Matter 25(3), 035403 (2013)
We report an ab initio study of the semiconducting Mg2X (with X = Si, Ge) compounds and in particular we analyze the formation energy of the different point defects with the aim to understand the intrinsic doping mechanisms. We find that the formatio
Externí odkaz:
http://arxiv.org/abs/1309.7246
Publikováno v:
PHYS. REV. B 85, 224105 (2012)
We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrinsic point defects in order to eventually improve the thermoelectric pr
Externí odkaz:
http://arxiv.org/abs/1207.1670
Publikováno v:
The Journal of Physical Chemistry A 115, 8761 (2011)
We present a study of the thermodynamic and physical properties of Tl5Te3, BiTl9Te6 and SbTl9Te6 compounds by means of density functional theory based calculations. The optimized lattice constants of the compounds are in good agreement with the exper
Externí odkaz:
http://arxiv.org/abs/1111.0793