Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs
文献类型：期刊论文
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| 作者 | Deng HX (Deng Hui-Xiong); Li JB (Li Jingbo); Li SS (Li Shu-Shen); Peng HW (Peng Haowei); Xia JB (Xia Jian-Bai); Wang LW (Wang Lin-Wang); Wei SH (Wei Su-Huai); Deng, HX, Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. jbli@semi.ac.cn |
| 刊名 | physical review b
 ; PHYSICAL REVIEW B
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 82期号:19页码:art. no. 193204 |
| 关键词 | IMPURITIES Impurities Gaas1-xnx Nitrogen Gainnas States Traps GAAS1-XNX NITROGEN GAINNAS STATES TRAPS |
| 通讯作者 | deng, hx, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. jbli@semi.ac.cn |
| 合作状况 | 国际 |
| 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 gaas1-xnx becomes an n-derived state and the valence-band edge of gaas1-xbix 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.; 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 GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix 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.; submitted by 阎军 (yanj@red.semi.ac.cn) on 2010-12-27t13:58:47z no. of bitstreams: 1 band crossing in isovalent semiconductor alloys with large size mismatch.pdf: 388560 bytes, checksum: 5d933a2d8d707df5762b800abf038f0e (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-12-27t14:03:10z (gmt) no. of bitstreams: 1 band crossing in isovalent semiconductor alloys with large size mismatch.pdf: 388560 bytes, checksum: 5d933a2d8d707df5762b800abf038f0e (md5); made available in dspace on 2010-12-27t14:03:10z (gmt). no. of bitstreams: 1 band crossing in isovalent semiconductor alloys with large size mismatch.pdf: 388560 bytes, checksum: 5d933a2d8d707df5762b800abf038f0e (md5) previous issue date: 2010; this work was supported by the "973" program of the national basic research program of china under grant no. g2009cb929300 and the national natural science foundation of china under grants no. 60821061 and no. 60776061. j.l. acknowledges financial support by the "one-hundred-talent-plan" program of the chinese academy of sciences. the work at nrel was supported by the u.s. department of energy, under contract no. de-ac36-08go28308.; 国际 |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | this work was supported by the "973" program of the national basic research program of china under grant no. g2009cb929300 and the national natural science foundation of china under grants no. 60821061 and no. 60776061. j.l. acknowledges financial support by the "one-hundred-talent-plan" program of the chinese academy of sciences. the work at nrel was supported by the u.s. department of energy, under contract no. de-ac36-08go28308. |
| 语种 | 英语 ; 英语 |
| 资助机构 | This work was supported by the "973" program of the National Basic Research Program of China under Grant No. G2009CB929300 and the National Natural Science Foundation of China under Grants No. 60821061 and No. 60776061. J.L. acknowledges financial support by the "One-hundred-Talent-Plan" program of the Chinese Academy of Sciences. The work at NREL was supported by the U.S. Department of Energy, under Contract No. DE-AC36-08GO28308. |
| 公开日期 | 2010-12-27 ; 2010-12-27 ; 2011-04-28 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/20678]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Deng, HX, Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. jbli@semi.ac.cn |
| 推荐引用方式 GB/T 7714 | Deng HX ,Li JB ,Li SS ,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, 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, PHYSICAL REVIEW B,2010, 2010,82, 82(19):art. no. 193204, Art. No. 193204. |
| APA | Deng HX .,Li JB .,Li SS .,Peng HW .,Xia JB .,...&Deng, HX, Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. jbli@semi.ac.cn.(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),art. no. 193204. |
| MLA | Deng HX ,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):art. no. 193204. |
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来源：半导体研究所
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