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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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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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
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