First-principles calculations to investigate probing the influence of Mn and Mg doping concentration on electronic structures and transport properties of SnTe alloys
In this paper, the defect formation energies, the nature of chemical bonding, and electronic structures of Mn- and Mg-doped SnTe alloys were determined by first-principles calculations. The effects of substitutional atoms on thermoelectric parameters are analyzed by solving the Boltzmann equation. T...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-05-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S221137972300236X |