Reliable density functional calculations for the electronic structure of thermoelectric material ZnSb
In this paper, we present the results of systematic test calculations for the electronic structure of thermoelectric material ZnSb using a first-principles full-potential all electron computational method. We used a linear combination of atomic orbitals (LACO) formalism, based on density functional...
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| Principais autores: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2018-10-01
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| Serier: | AIP Advances |
| Online adgang: | http://dx.doi.org/10.1063/1.5051346 |
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