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Porous Si Partially Filled with Water Molecules—Crystal Structure, Energy Bands and Optical Properties from First Principles

The paper reports the results on first-principles investigation of energy band spectrum and optical properties of bulk and nanoporous silicon. We present the evolution of energy band-gap, refractive indices and extinction coefficients going from the bulk Si of cubic symmetry to porous Si with period...

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Detalles Bibliográficos
Autores principales: Shchur, Ya., Pavlyuk, O., Andrushchak, A.S., Vitusevich, S., Kityk, A.V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7075300/
https://www.ncbi.nlm.nih.gov/pubmed/32102303
http://dx.doi.org/10.3390/nano10020396

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