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Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te(2): PBE + U approach
The electronic, vibrational and thermoelectric transport characteristics of AgInTe(2) and AgGaTe(2) 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–Ern...
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| Publicado no: | R Soc Open Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5666262/ https://ncbi.nlm.nih.gov/pubmed/29134079 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsos.170750 |
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