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Cation composition effects on electronic structures of In-Sn-Zn-O amorphous semiconductors

Authors
Noh, Ji-YoungKim, HanchulNahm, Ho-HyunKim, Yong-SungKim, Dae HwanAhn, Byung-DuLim, Jun-HyungKim, Gun HeeLee, Je-HunSong, Junho
Issue Date
Apr-2013
Publisher
AMER INST PHYSICS
Citation
JOURNAL OF APPLIED PHYSICS, v.113, no.18
Journal Title
JOURNAL OF APPLIED PHYSICS
Volume
113
Number
18
URI
https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/11279
DOI
10.1063/1.4803706
ISSN
0021-8979
1089-7550
Abstract
Based on density-functional theory calculations, the effects of cation compositions on electronic structures of In-Sn-Zn-O amorphous semiconductors were investigated. We considered various composition ratios of In, Sn, and Zn in O stoichiometric condition, and found that the conduction band minimum (CBM) energy level decreases and the valence band tail (VBT) energy level extent increases as the sum of In and Sn ratios (R-In + R-Sn) increases. The CBM lowering is attributed to the increased overlap of the In-5s and Sn-5s orbitals as the R-In + R-Sn increases, and correspondingly the electron effective masses (m(e)*) are found to be reduced. The VBT increase is found to be due to the increased density of the In and Sn atoms, near which the O-2p inter-site pp sigma* coupling is larger than that near the Zn atoms. The acute O-(In,Sn)-O angles are suggested to be structurally important, giving the stronger O-O pp sigma* coupling. (C) 2013 AIP Publishing LLC.
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첨단소재·전자융합공학부 (신소재물리전공)
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