DFT Studies on Electronic, Elastic, Thermoelectric and Optical Properties of New Half-Heusler XRhZ (X = V, Nb and Z = Si, Ge) Semiconductors
Density functional theory is used to explore the physical properties of the new half-Heusler alloys XRhZ (X =V, Nb and Z = Si, Ge). The exchange-correlation effects were treated by the TB-mBJ potential. The four studied compounds are nonmagnetic semiconductor with an indirect band gap. The formation...
שמור ב:
| Principais autores: | , , , , , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
V.N. Karazin Kharkiv National University Publishing
2024-03-01
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| סדרה: | East European Journal of Physics |
| נושאים: | |
| גישה מקוונת: | https://periodicals.karazin.ua/eejp/article/view/22616 |
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