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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| Format: | Article |
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Elsevier
2018
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