Study on interactions between cadmium and defects in cd-doped zno by first-principle calculations
文献类型：期刊论文
| 作者 | Tang, Xin1,2,3; Lue, Haifeng4; Zhang, Qingyu3; Zhao, Jijun3; Lin, Yuyuan5 |
| 刊名 | Solid state sciences
 |
| 出版日期 | 2011-02-01 |
| 卷号 | 13期号:2页码:384-387 |
| 关键词 | Cd-dopped zno N-type carrier Density functional theory |
| ISSN号 | 1293-2558 |
| DOI | 10.1016/j.solidstatesciences.2010.11.040 |
| 通讯作者 | Tang, xin(xtang@glite.edu.cn) |
| 英文摘要 | An ab initio calculation based on density functional theory is applied to study the formation energy and transition energy level of defects and complexes in cd-dopped zno. the calculation shows that the incorporation of cd into zno leads to the increase of the o vacancies (v(o)). v(o) exists in the form of cd(zn)-v(o) complex, which can balance the strain caused by cd(zn) and v(o). due to high formation energy of the zn interstitials (zn(i)) and deep transition energy level of v(o), zn(i) and v(o) cannot serve singly as the source of the n-type carriers in cd-dopped zno. it is also found that the zn(i)-cd(zn)-v(o) complex is a shallow donor like zn(i), but has lower formation energy. thus, the source of n-type carriers is believed to be a complex with zn(i)-cd(zn)-v(o) structures in cd-doped zno. (c) 2010 elsevier masson sas. all rights reserved. |
| WOS关键词 | AUGMENTED-WAVE METHOD ; LIGHT-EMITTING-DIODES ; THIN-FILMS ; SEMICONDUCTORS ; MGXZN1-XO ; ALLOY |
| WOS研究方向 | Chemistry ; Physics |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Chemistry, Physical ; Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000287907700016 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374139 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Tang, Xin |
| 作者单位 | 1.Guilin Univ Technol, Minist Educ, Key Lab New Proc Technol Nonferrous Met & Mat, Guilin 541004, Peoples R China 2.Guilin Univ Technol, Coll Mat Sci & Engn, Guilin 541004, Peoples R China 3.Dalian Univ Technol, Key Lab Mat Modificat Laser Ion & Elect Beams, Dalian 116024, Peoples R China 4.Chinese Acad Sci, Comp Network Informat Ctr, Beijing 10080, Peoples R China 5.Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA |
| 推荐引用方式 GB/T 7714 | Tang, Xin,Lue, Haifeng,Zhang, Qingyu,et al. Study on interactions between cadmium and defects in cd-doped zno by first-principle calculations[J]. Solid state sciences,2011,13(2):384-387. |
| APA | Tang, Xin,Lue, Haifeng,Zhang, Qingyu,Zhao, Jijun,&Lin, Yuyuan.(2011).Study on interactions between cadmium and defects in cd-doped zno by first-principle calculations.Solid state sciences,13(2),384-387. |
| MLA | Tang, Xin,et al."Study on interactions between cadmium and defects in cd-doped zno by first-principle calculations".Solid state sciences 13.2(2011):384-387. |
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