Thermoelectric properties of CuAlCh{sub 2} (Ch = S, Se and Te)

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4918083· OSTI ID:22490510

Gudelli, Vijay Kumar; Vaitheeswaran, G. ^[1]

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1. Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad-500046 (India)

Electronic and thermoelectric properties of ternary chalcopyrite-type CuAlCh{sub 2} (S, Se and Te) were studied using the first principles density functional calculations implemented in the full potential linear augmented plane wave (FP-LAPW) method. The thermoelectric properties are calculated by solving the Boltzmann transport equation within the constant relaxation time approximation. The calculated band gap using the Tran-Blaha modified Becke-Johnson potential (TB-mBJ), of all the compounds are in good agreement with the available experiment and other theoretical reports. Thermoelectric properties like thermopower, electrical conductivity scaled by relaxation time are calculated as a function of carrier concentrations at different temperatures. The calculated thermoelectric properties are compared with the available experiment and other theoretical calculations of similar materials.

• OSTI ID: 22490510
• Journal Information: AIP Conference Proceedings, Vol. 1665, Issue 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM SELENIDES
ALUMINIUM SULFIDES
ALUMINIUM TELLURIDES
BOLTZMANN EQUATION
CHALCOPYRITE
COMPARATIVE EVALUATIONS
CONCENTRATION RATIO
COPPER COMPOUNDS
DENSITY FUNCTIONAL METHOD
ELECTRIC CONDUCTIVITY
RELAXATION TIME
THERMOELECTRIC PROPERTIES
WAVE PROPAGATION