Band Alignment of the CuGaS(2) Chalcopyrite Interfaces Studied by First-Principles Calculations

[Image: see text] The valence and conduction band offsets for both polar and nonpolar CuGaS(2)/CuAlSe(2) and CuGaS(2)/ZnSe interfaces were studied here by the state-of-the-art first-principles calculations. Using the hybrid functional calculations, we show that the CuGaS(2)/CuAlSe(2) and CuGaS(2)/Zn...

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Detalles Bibliográficos
Autores principales: Castellanos-Águila, Jesús Eduardo, Palacios Clemente, Pablo, García, Gregorio, Olea-Amezcua, Mónica Araceli, Rivas-Silva, Juan Francisco, Wahnón, Perla
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7045311/
https://www.ncbi.nlm.nih.gov/pubmed/32118144
http://dx.doi.org/10.1021/acsomega.9b03362

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7045311/
https://www.ncbi.nlm.nih.gov/pubmed/32118144
http://dx.doi.org/10.1021/acsomega.9b03362

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