Reference : Effect of hydrostatic pressure on the thermoelectric properties of Bi2 Te3
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Effect of hydrostatic pressure on the thermoelectric properties of Bi2 Te3
Ibarra-Hernández, Wilfredo mailto [Départment de Physique, Université de Liège, Allée du 6 Août 17, Sart Tilman, Belgium]
Verstraete, Matthieu mailto [Université de Liège > Département de physique > Physique des matériaux et nanostructures >]
Raty, Jean-Yves mailto [Université de Liège > Département de physique > Physique expérimentale des matériaux nanostructurés >]
Physical Review. B, Condensed Matter and Materials Physics
American Physical Society
Yes (verified by ORBi)
[en] Thermolectricity ; Chalcogenide ; high-pressure ; ab initio
[en] We use first-principles calculations to understand the behavior of the Seebeck coefficient (S) in Bi2Te3 as a function of isotropic pressure. We perform calculations up to 5 GPa using density functional theory and with thermoelectric properties extracted using Boltzmann transport equations. We find that with the increase in pressure the system becomes more metallic, in agreement with previous calculations on Sb2Te3. For p-type doping the overall behavior is a decrease in S with an increase in pressure. At small values of hole doping (p=1.8×1018cm-3), we obtain an anomalous variation of S under 2 GPa, which is an indication of the electronic topological transition. For n-type doping, S slightly increases with pressure. © 2014 American Physical Society.
ARC Themoterm. Fonds de la Recherche Scientifuque (Communauté Française de Belgique), CECI
Publisher: American Physical Society

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