Electronic structure, transport, and phonons of SrAgChF (Ch = S, Se, Te): Bulk superlattice thermoelectrics

Gudelli, V K and V, Kanchana (2015) Electronic structure, transport, and phonons of SrAgChF (Ch = S, Se, Te): Bulk superlattice thermoelectrics. Physical Review B, 92 (045206). pp. 1-8. ISSN 1098-0121

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We report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm−1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

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IITH Creators:
IITH CreatorsORCiD
Item Type: Article
Additional Information: The auhtors 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. thanks the Center for Modelling Simulation and Design-University of Hyderabad (CMSD-UoH) for providing computational facility. Work at ORNL was supported by the Department of Energy, Office of Science, Basic Energy Sciences, through the Solid-State Solar-Thermal Energy Conversion (S3TEC) Center.
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 30 Jul 2015 04:46
Last Modified: 14 Aug 2017 11:09
URI: http://raiith.iith.ac.in/id/eprint/1709
Publisher URL: https://doi.org/10.1103/PhysRevB.92.045206
OA policy: http://www.sherpa.ac.uk/romeo/issn/1098-0121/
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