Structural diversity of CuZn(2)InSe(4) quaternary chalcogenides: electronic and phonon properties from first principles

First principles simulations are utilized to calculate the electronic and vibrational properties of several metastable structural phases of the CuZn(2)InSe(4) quaternary chalcogenide, including stanite, kesterite, primitive mixed CuAu, wurtzite-stanite, and wurtzite-kesterite lattices. We find that...

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Detalles Bibliográficos
Autores principales: Ma, Long, Shi, Wencong, Woods, Lilia M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486974/
https://www.ncbi.nlm.nih.gov/pubmed/36275148
http://dx.doi.org/10.1039/d2ra04261d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486974/
https://www.ncbi.nlm.nih.gov/pubmed/36275148
http://dx.doi.org/10.1039/d2ra04261d

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