Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study
Source abstract
Abstract
Strain effect on thermoelectricity of orthorhombic SnSe is studied using density function theory. The Seebeck coefficients are obtained by solving Boltzmann Transport equation (BTE) with interpolated band energies. As expected from the crystal structure, calculated Seebeck coefficients are highly anisotropic, and agree well with experiment. Changes in the Seebeck coefficients are presented, when strain is applied along b and c direction with strength from -3% to +3%, where influence by band gaps and band dispersions are significant. Moreover, for compressive strains, the sign change of Seebeck coefficients at particular direction suggests that the bipolar transport is possible for SnSe.
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Research context
OpenAlex topics: Advanced Thermoelectric Materials and Devices · Chalcogenide Semiconductor Thin Films · Heusler alloys: electronic and magnetic properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
University of Ulsan 1 Department of Physics and Energy Harvest Storage Research Center, , Ulsan, 680-749, Republic of Korea
Gwangju Institute of Science and Technology 2 Department of Materials Science and Engineering, , Gwangju, Republic of Korea
Funding
National Research Foundation of Korea · Korea Institute of Energy Technology Evaluation and Planning
References (22)
Show source-provided references
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