Physical properties of thallium-tellurium based thermoelectric compounds using first-principles simulations

Journal of Physical Chemistry A

Volumn 115, Issue 31, 2011, Pages 8761-8766

  Tao, Xiaoma ^a,b   Jund, Philippe ^b   Viennois, Romain ^b   Tédenac, Jean Claude ^b  

^a GUANGXI UNIVERSITY   (China)

^b UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING MECHANISM; BRITTLE BEHAVIOR; EXPERIMENTAL DATA; FIRST-PRINCIPLES SIMULATIONS; INDIRECT BAND GAP; SEMICONDUCTING COMPOUNDS; SOUND VELOCITIES; SPIN-ORBIT COUPLINGS; THERMOELECTRIC COMPOUND; YOUNG'S MODULUS;

CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; TELLURIUM; THALLIUM;

THALLIUM COMPOUNDS;

EID: 79961228112     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204592e     Document Type: Article

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