Pulikkotil, J. J. and Auluck, S. (2015) Anisotropy and high thermopower of LaOBiS2. Journal of Alloys and Compounds, 626. pp. 208-211. ISSN 0925-8388

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Transport properties of LaOBiS2 are studied using the Boltzmann theory in the constant scattering time approximation, the input to which are derived from the ab-initio calculations with spin-orbit interactions included. By virtue of the materials chemical bonding and band structure, strong anisotropy in the transport is observed, which also have non-symmetric behavior with respect to carrier type. With thermopower being in few hundreds mu V/K, and LaO layers being charge inactive, it could be well anticipated that the thermal conductivity would be significantly suppressed along the crystallographic c-axis. We argue LaOBiS2 as a potential oxide thermoelectric material for high temperature applications. Further optimization of the materials properties in terms of "p" and "n" type conduction could also be accomplished via Sr and F doping, respectively, following the discovery of its isoelectronic counterpart SrFBiS2.

Item Type: Article
Uncontrolled Keywords: Thermoelectrics DFT LaOBiS2
Subjects: Materials Science
Metallurgy & Metallurgical Engineering
Physical Chemistry/Chemical Physics
Depositing User: Dr. Rajpal Walke
Date Deposited: 16 Sep 2016 06:28
Last Modified: 16 Sep 2016 06:28
URI: http://npl.csircentral.net/id/eprint/1714

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