Bi-doped Sb sub(2)S sub(3) for low effective mass and optimized optical properties

Crystal structures, electronic and optical properties of antimony sulfide (Sb sub(2)S sub(3)) doped by Bi substituting Sb were calculated using a first-principles approach. The effective masses of electrons and holes can be reduced viasite-dependent Bi-incorporation, leading to variation of the band...

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Published inJournal of materials chemistry. C, Materials for optical and electronic devices Vol. 4; no. 22; pp. 5081 - 5090
Main Authors Shang, Ming-Hui, Zhang, Jing, Wei, Shihao, Zhu, Yuejin, Wang, Lin, Hou, Huilin, Wu, Yulian, Fujikawa, Takashi, Ueno, Nobuo
Format Journal Article
LanguageEnglish
Published 01.06.2016
Subjects
Antimony
Chemical bonds
Crystal structure
Electronics
Mathematical analysis
Optical properties
Sulfides
Tuning
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Summary:Crystal structures, electronic and optical properties of antimony sulfide (Sb sub(2)S sub(3)) doped by Bi substituting Sb were calculated using a first-principles approach. The effective masses of electrons and holes can be reduced viasite-dependent Bi-incorporation, leading to variation of the band dispersion by tuning chemical bond lengths and bond angles. 1.25 at% Bi-doped Sb sub(2)S sub(3) shows the optimized optical properties. These theoretical results are in good agreement with experimental observations.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
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ISSN:2050-7526
2050-7534
DOI:10.1039/c6tc00513f