Electronic and thermoelectric properties of the layered BaFAg Ch ( Ch = S, Se and Te): First-principles study
By using the full potential linearized augmented plane wave (FP-LAPW) method, the electronic properties of the layered BaAgChF (Ch = S, Se, Te) were investigated. Both the standard GGA and the TB-mBJ potential were used to model the exchange-correlation potential. To evaluate the spin-orbit coupling...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Published: |
Elsevier
2018
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/22299/ https://doi.org/10.1016/j.jallcom.2018.05.142 |
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