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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Detalles Bibliográficos
Autores principales: Yang, Jianhui, Fan, Qiang, Cheng, Xinlu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2017
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5666262/
https://www.ncbi.nlm.nih.gov/pubmed/29134079
http://dx.doi.org/10.1098/rsos.170750

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5666262/
https://www.ncbi.nlm.nih.gov/pubmed/29134079
http://dx.doi.org/10.1098/rsos.170750

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