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

Gudelli, V K and Vaitheeswaran, G and V, Kanchana (2015) Thermoelectric properties of CuAlCh 2 (Ch = S, Se and Te). AIP Conference Proceedings, 1665. ISSN 0094-243X

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Abstract

Electronic and thermoelectric properties of ternary chalcopyrite-type CuAlCh 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.

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IITH Creators:	IITH Creators ORCiD V, Kanchana UNSPECIFIED
Item Type:	Article
Additional Information:	Note: Published in 59th DAE Solid State Physics Symposium 2014.
Subjects:	Physics
Divisions:	Department of Physics
Depositing User:	Library Staff
Date Deposited:	25 Jan 2016 05:29
Last Modified:	14 Aug 2017 11:10
URI:	http://raiithold.iith.ac.in/id/eprint/2150
Publisher URL:	https://doi.org/10.1063/1.4918083
OA policy:	http://www.sherpa.ac.uk/romeo/issn/0094-243X/
Related URLs:	Google Scholar

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