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	Band crossing in isovalent semiconductor alloys with large size mismatch: first-principles calculations of the electronic structure of bi and n incorporated gaas
	Deng, Hui-Xiong1; Li, Jingbo1; Li, Shu-Shen1; Peng, Haowei1; Xia, Jian-Bai1; Wang, Lin-Wang2; Wei, Su-Huai3
刊名	Physical review b
	2010-11-17
卷号	82期号:19页码:4
ISSN号	1098-0121
DOI	10.1103/physrevb.82.193204
通讯作者	Deng, hui-xiong()
英文摘要	For large size- and chemical-mismatched isovalent semiconductor alloys, such as n and bi substitution on as sites in gaas, isovalent defect levels or defect bands are introduced. the evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (bac) model. using first-principles band-structure calculations we show that at the impurity limit the n-(bi)-induced impurity level is above (below) the conduction- (valence-) band edge of gaas. these trends reverse at high concentration, i.e., the conduction-band edge of gaas(1-x)n(x) becomes an n-derived state and the valence-band edge of gaas(1-x)bi(x) becomes a bi-derived state, as expected from their band characters. we show that this band crossing phenomenon cannot be described by the popular bac model but can be naturally explained by a simple band broadening picture.
WOS关键词	IMPURITIES ; GAAS1-XNX ; NITROGEN ; GAINNAS ; STATES ; TRAPS
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000284306100002
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2427820
专题	半导体研究所
通讯作者	Deng, Hui-Xiong
作者单位	1.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China 2.Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA 3.Natl Renewable Energy Lab, Golden, CO 80401 USA
推荐引用方式 GB/T 7714	Deng, Hui-Xiong,Li, Jingbo,Li, Shu-Shen,et al. Band crossing in isovalent semiconductor alloys with large size mismatch: first-principles calculations of the electronic structure of bi and n incorporated gaas[J]. Physical review b,2010,82(19):4.
APA	Deng, Hui-Xiong.,Li, Jingbo.,Li, Shu-Shen.,Peng, Haowei.,Xia, Jian-Bai.,...&Wei, Su-Huai.(2010).Band crossing in isovalent semiconductor alloys with large size mismatch: first-principles calculations of the electronic structure of bi and n incorporated gaas.Physical review b,82(19),4.
MLA	Deng, Hui-Xiong,et al."Band crossing in isovalent semiconductor alloys with large size mismatch: first-principles calculations of the electronic structure of bi and n incorporated gaas".Physical review b 82.19(2010):4.

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