Design of shallow acceptors in zno through compensated donor-acceptor complexes: a density functional calculation
文献类型：期刊论文
| 作者 | Gai, Yanqin1; Li, Jingbo1; Li, Shu-Shen1; Xia, Jian-Bai1; Yan, Yanfa2; Wei, Su-Huai2 |
| 刊名 | Physical review b
 |
| 出版日期 | 2009-10-01 |
| 卷号 | 80期号:15页码:4 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/physrevb.80.153201 |
| 通讯作者 | Gai, yanqin() |
| 英文摘要 | The intrinsic large electronegativity of o 2p character of the valence-band maximum (vbm) of zno renders it extremely difficult to be doped p type. we show from density functional calculation that such vbm characteristic can be altered by compensated donor-acceptor pairs, thus improve the p-type dopability. by incorporating (ti+c) or (zr+c) into zno simultaneously, a fully occupied impurity band that has the c 2p character is created above the vbm of host zno. subsequent doping by n in zno: (ti+c) and zno: (zr+c) lead to the acceptor ionization energies of 0.18 and 0.13 ev, respectively, which is about 200 mev lower than it is in pure zno. |
| WOS关键词 | INITIO MOLECULAR-DYNAMICS ; AUGMENTED-WAVE METHOD ; MG-DOPED GAN ; BEAM EPITAXY ; SEMICONDUCTORS ; METALS |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000271352000006 |
| 出版者 | AMER PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427623 |
| 专题 | 半导体研究所 |
| 通讯作者 | Gai, Yanqin |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China 2.Natl Renewable Energy Lab, Golden, CO 80401 USA |
| 推荐引用方式 GB/T 7714 | Gai, Yanqin,Li, Jingbo,Li, Shu-Shen,et al. Design of shallow acceptors in zno through compensated donor-acceptor complexes: a density functional calculation[J]. Physical review b,2009,80(15):4. |
| APA | Gai, Yanqin,Li, Jingbo,Li, Shu-Shen,Xia, Jian-Bai,Yan, Yanfa,&Wei, Su-Huai.(2009).Design of shallow acceptors in zno through compensated donor-acceptor complexes: a density functional calculation.Physical review b,80(15),4. |
| MLA | Gai, Yanqin,et al."Design of shallow acceptors in zno through compensated donor-acceptor complexes: a density functional calculation".Physical review b 80.15(2009):4. |
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来源：半导体研究所
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