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Structural, electronic, vibration and elastic properties of the layered AgInP(2)S(6) semiconducting crystal – DFT approach

Detailed first principles calculations of the structural, electronic and vibrational properties of the AgInP(2)S(6) crystal are reported. The energy band spectra of the mentioned material using DFT/GGA-D methodology with the PBE functional was calculated for the first time. Stability of the AgInP(2)...

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Detalles Bibliográficos
Autores principales:	Babuka, T., Glukhov, K., Vysochanskii, Y., Makowska-Janusik, M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078364/ https://www.ncbi.nlm.nih.gov/pubmed/35540337 http://dx.doi.org/10.1039/c7ra13519j

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