Anisotropy and high thermopower of LaOBiS2

作者：Pulikkotil J J; Auluck S^*

来源：Journal of Alloys and Compounds, 2015, 626: 208-211.

DOI：10.1016/j.jallcom.2014.12.003

• Thermoelectrics
• DFT
• LaOBiS2

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.

• 出版日期2015-3-25