HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Calculations of thermoelectric properties: Mg2Si under uniaxial [110] strains versus (110)-oriented thin film

Hilal Balout 1 Pascal Boulet 1 Marie-Christine Record 2
1 MADIREL - Matériaux divisés, interfaces, réactivité, électrochimie
2 IM2NP - Institut des Matériaux, de Microélectronique et des Nanosciences de Provence
Abstract : Investigations of the electronic properties and transport properties of Mg2Si under uniaxial [110] strain have been performed by using first-principle density-functional and Boltzmann's transport theories. The effect of compressive and tensile uniaxial strains has been studied by changing the. angle of the conventional cell from +/- 1 degrees to +/- 4 degrees. We show that, the Seebeck property of the constrained bulk lattice at high temperature, when plotted with respect to the charge carrier concentrations, is similar to that of the (110) thin film at low temperature. This behaviour is evidenced when superimposing the Seebeck coefficient curves of both materials by shifting down the S curve of the constrained structure by about 150 K with respect to the temperature.
Keywords : BAND-STRUCTURE SEMICONDUCTORS 1ST-PRINCIPLES DEFORMATION TRANSPORT LATTICE
Document type :
Journal articles
Complete list of metadata
https://hal-amu.archives-ouvertes.fr/hal-01416716
Contributor : Laurence Tortet Connect in order to contact the contributor
Submitted on : Wednesday, December 14, 2016 - 5:25:22 PM
Last modification on : Tuesday, December 14, 2021 - 8:34:02 AM

Identifiers

Collections

UNIV-AMU | CNRS | INC-CNRS | MADIREL | IM2NP | UNIV-TLN

Citation

Hilal Balout, Pascal Boulet, Marie-Christine Record. Calculations of thermoelectric properties: Mg2Si under uniaxial [110] strains versus (110)-oriented thin film. The European Physical Journal B: Condensed Matter and Complex Systems, Springer-Verlag, 2015, 88 (8), ⟨10.1140/epjb/e2015-60161-y⟩. ⟨hal-01416716⟩

Export

BibTeX TEI DC DCterms EndNote Datacite

Share

Metrics

Record views

154