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 YQ (Gai, Yanqin) ; Li JB (Li, Jingbo) ; Li SS (Li, Shu-Shen) ; Xia JB (Xia, Jian-Bai) ; Yan YF (Yan, Yanfa) ; Wei SH (Wei, Su-Huai) |
| 刊名 | physical review b
 |
| 出版日期 | 2009 |
| 卷号 | 80期号:15页码:art.no.153201 |
| 关键词 | INITIO MOLECULAR-DYNAMICS |
| ISSN号 | 1098-0121 |
| 通讯作者 | gai, yq, chinese acad sci, state key lab superlattices & microstruct, inst semicond, pob 912, beijing 100083, peoples r china. 电子邮箱地址: jbli@semi.ac.cn ; swei@nrel.gov |
| 中文摘要 | 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. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | national basic research program of china g2009cb929300 national natural science foundation of china 60521001 6077061u.s. doe de-ac36-08go28308 j.l. gratefully acknowledges financial support from the |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/7547]  |
| 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 | Gai YQ ,Li JB ,Li SS ,et al. Design of shallow acceptors in ZnO through compensated donor-acceptor complexes: A density functional calculation[J]. physical review b,2009,80(15):art.no.153201. |
| APA | Gai YQ ,Li JB ,Li SS ,Xia JB ,Yan YF ,&Wei SH .(2009).Design of shallow acceptors in ZnO through compensated donor-acceptor complexes: A density functional calculation.physical review b,80(15),art.no.153201. |
| MLA | Gai YQ ,et al."Design of shallow acceptors in ZnO through compensated donor-acceptor complexes: A density functional calculation".physical review b 80.15(2009):art.no.153201. |
入库方式： OAI收割
来源：半导体研究所
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