Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te2: PBE + U approach
The electronic, vibrational and thermoelectric transport characteristics of AgInTe2 and AgGaTe2 with chalcopyrite structure have been investigated. The electronic structures are calculated using the density-functional theory within the generalized gradient approximation (GGA) of Perdew–Burke–Ernzerh...
| Autors principals: | , , |
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| Format: | Article |
| Idioma: | English |
| Publicat: |
The Royal Society
2017-01-01
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| Col·lecció: | Royal Society Open Science |
| Matèries: | |
| Accés en línia: | https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.170750 |