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

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.
Authors:
;  [1] ;  [2]
  1. Department of Physics, Indian Institute of Technology Hyderabad, Ordnance Factory Estate, Yeddumailaram-502205, Telangana (India)
  2. Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad-500046 (India)
Publication Date:
OSTI Identifier:
22490510
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
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