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Electronic Structure and Phase Transition in Ferroelectic Sn(2)P(2)S(6) Crystal

An analysis of the P(2)S(6) cluster electronic structure and its comparison with the crystal valence band in the paraelectric and ferroelectric phases has been done by first-principles calculations for Sn(2)P(2)S(6) ferroelectrics. The origin of ferroelectricity has been outlined. It was established...

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Detalles Bibliográficos
Autores principales: Glukhov, Konstantin, Fedyo, Kristina, Banys, Juras, Vysochanskii, Yulian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3509585/
https://www.ncbi.nlm.nih.gov/pubmed/23203069
http://dx.doi.org/10.3390/ijms131114356