CuAlTe2: A promising bulk thermoelectric material

Gudelli, V K and V, Kanchana and G, Vaitheeswaran (2015) CuAlTe2: A promising bulk thermoelectric material. Journal of Alloys and Compounds, 648. pp. 958-965. ISSN 0925-8388

Full text not available from this repository. (Request a copy)


Transport properties of Cu-based chalcopyrite materials are presented using the full potential linear augmented plane wave method and Boltzmann Semi-classical theory. All the studied compounds appear to be direct band gap semiconductors evaluated based on the Tran-Blaha modified Becke-Johnson potential. The heavy and light band combination found near the valence band maximum (VBM) drive these materials to possess good thermoelectric properties. Among the studied compounds, CuAlTe2 is found to be more promising, in comparison with CuGaTe2, which is reported to be an efficient thermoelectric material with appreciable figure of merit. Another interesting fact about CuAlTe2 is the comparable thermoelectric properties possessed by both n- type and p-type carriers, which might attract good device applications and are explained in detail using the electronic structure calculations.

[error in script]
IITH Creators:
IITH CreatorsORCiD
Item Type: Article
Additional Information: V.K.G and V.K would like to acknowledge IIT-Hyderabad for providing computational facility. V.K.G. would like to thank MHRD for the fellowship. G.V thank Center for Modelling Simulation and Design-University of Hyderabad (CMSD-UoH) for providing computational facility.
Uncontrolled Keywords: Chalcopyrite materials; Density functional theory; Electronic structure; Thermoelectric properties
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 30 Jul 2015 11:57
Last Modified: 14 Aug 2017 11:10
Publisher URL:
OA policy:
Related URLs:

Actions (login required)

View Item View Item
Statistics for RAIITH ePrint 1729 Statistics for this ePrint Item