Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study
文献类型：期刊论文
| 作者 | Shi HL ; Duan Y |
| 刊名 | european physical journal b
 |
| 出版日期 | 2008 |
| 卷号 | 66期号:4页码:439-444 |
| 关键词 | SPECIAL QUASIRANDOM STRUCTURES ZINCBLENDE OFFSETS GAASN CDTE BEO |
| ISSN号 | 1434-6028 |
| 通讯作者 | shi hl chinese acad sci inst semicond state key lab superlattices & microstruct pob 912 beijing 100083 peoples r china. e-mail address: hlshi@semi.ac.cn |
| 中文摘要 | using a first-principles band-structure method and a special quasirandom structure (sqs) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (zn, mg, be)o related random ternary and quaternary alloys. we show that the bowing parameters for znbeo and mgbeo alloys are large and dependent on composition. this is due to the size difference and chemical mismatch between be and zn(mg) atoms. we also demonstrate that adding a small amount of be into mgo reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. we select an ideal n atom with lower p atomic energy level as dopant to perform p-type doping of znbeo and znmgbeo alloys. for n doped in znbeo alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor be atoms increases. this is thought to be because of the reduction of p-d repulsion. the n-o acceptor transition energies are deep in the znmgbeo quaternary alloy lattice-matched to gan substrate due to the lower valence band maximum. these decrease slightly as there are more nearest neighbor mg atoms surrounding the n dopant. the important natural valence band alignment between zno, mgo, beo, znbeo, and znmgbeo quaternary alloy is also investigated. |
| 学科主题 | 半导体材料 |
| 收录类别 | SCI |
| 资助信息 | national basic research program of china g2009cb929300 national natural science foundation of china 60521001 60776061this work was supported by the national basic research program of china ( 973 program) grant no. g2009cb929300 and the national natural science foundation of china under grant nos. 60521001 and 60776061. |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/7407]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Shi HL,Duan Y. Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study[J]. european physical journal b,2008,66(4):439-444. |
| APA | Shi HL,&Duan Y.(2008).Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study.european physical journal b,66(4),439-444. |
| MLA | Shi HL,et al."Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study".european physical journal b 66.4(2008):439-444. |
入库方式： OAI收割
来源：半导体研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。