A First Principles Study of Nanostructured Thermoelectric Materials

Philippe Jund; Romain Viennois; Jean Tedenac; Mathieu Fevre

Article de revue

A First Principles Study of Nanostructured Thermoelectric Materials

Philippe Jund, Romain Viennois, Jean Tedenac et Mathieu Fevre

Minerals, Metals and Materials Society/AIME, 420 Commonwealth Dr., P.O. Box 430 Warrendale PA 15086 United States. [np]. Feb 2011

01/02/2011

Résumé

Dispersions

Intermetallics

Magnesium

Magnesium compounds

Nanostructure

Semiconductors

Silicides

Thermoelectricity

We present DFT based simulations of magnesium silicide composites. After the determination of the energy of formation of the different structural defects, we compute the physical properties and in particular the phonon dispersion curves of Mg2Si containing various transition metal silicide nanoclusters with the aim of improving the thermoelectric properties of magnesium silicide.

Indicateurs

1 Consultations de la notice

Détails

Titre: A First Principles Study of Nanostructured Thermoelectric Materials
Créateurs - sans rôle: Philippe Jund
Romain Viennois
Jean Tedenac
Mathieu Fevre
Détails de publication: Minerals, Metals and Materials Society/AIME, 420 Commonwealth Dr., P.O. Box 430 Warrendale PA 15086 United States. [np]. Feb 2011
Identifiants: 99138833409311
Unité académique: Institut Charles Gerhardt Montpellier - ICGM
Langue: English
Type de ressource: Journal article