Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study
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 an...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2015-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4936636 |
| _version_ | 1811233627197931520 |
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| author | Do Duc Cuong S. H. Rhim Joo-Hyong Lee Soon Cheol Hong |
| author_facet | Do Duc Cuong S. H. Rhim Joo-Hyong Lee Soon Cheol Hong |
| author_sort | Do Duc Cuong |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-12T11:22:52Z |
| format | Article |
| id | doaj.art-09ba29f8f4014a4699c38a0038727e06 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-04-12T11:22:52Z |
| publishDate | 2015-11-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-09ba29f8f4014a4699c38a0038727e062022-12-22T03:35:18ZengAIP Publishing LLCAIP Advances2158-32262015-11-01511117147117147-610.1063/1.4936636080511ADVStrain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles studyDo Duc Cuong0S. H. Rhim1Joo-Hyong Lee2Soon Cheol Hong3Department of Physics and Energy Harvest Storage Research Center, University of Ulsan, Ulsan, 680-749, Republic of KoreaDepartment of Physics and Energy Harvest Storage Research Center, University of Ulsan, Ulsan, 680-749, Republic of KoreaDepartment of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju, Republic of KoreaDepartment of Physics and Energy Harvest Storage Research Center, University of Ulsan, Ulsan, 680-749, Republic of KoreaStrain 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.http://dx.doi.org/10.1063/1.4936636 |
| spellingShingle | Do Duc Cuong S. H. Rhim Joo-Hyong Lee Soon Cheol Hong Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study AIP Advances |
| title | Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study |
| title_full | Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study |
| title_fullStr | Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study |
| title_full_unstemmed | Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study |
| title_short | Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study |
| title_sort | strain effect on electronic structure and thermoelectric properties of orthorhombic snse a first principles study |
| url | http://dx.doi.org/10.1063/1.4936636 |
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