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Direct and quasi-direct band gap silicon allotropes with low energy and strong absorption in the visible for photovoltaic applications

Four new sp3-hybridized silicon allotropes (Si10, Si14, Si20-I, and Si20-II) in the space groups of P21/m and P2/m were developed in this study. Their values for properties related to stability, and mechanical, electronic, and optical properties were investigated using the first-principles method. C...

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Principais autores: Wei Zhang, Changchun Chai, Qingyang Fan, Yanxing Song, Yintang Yang
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2020-09-01
coleção:Results in Physics
Assuntos:
Si allotrope
Density functional theory
Electronic properties
Photovoltaic application
Mechanical properties
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S2211379720317381
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