First-principles study on the structural and electronic properties of ultrathin zno nanofilms
文献类型：期刊论文
| 作者 | Kang, Jun1,2,3; Zhang, Yang1,2; Wen, Yu-Hua1,2; Zheng, Jin-Cheng1,2; Zhu, Zi-Zhong1,2 |
| 刊名 | Physics letters a
 |
| 出版日期 | 2010-02-08 |
| 卷号 | 374期号:8页码:1054-1058 |
| 关键词 | First-principles calculations Zno nanofilms Electronic properties Quantum effects |
| ISSN号 | 0375-9601 |
| DOI | 10.1016/j.physleta.2009.12.031 |
| 通讯作者 | Wen, yu-hua(yhwen@xmu.edu.cn) |
| 英文摘要 | Using first-principles density-functional calculations, we have studied the structural and electronic properties of ultrathin zno {0001} nanofilms. the structural parameters, the charge densities, band structures and density of states have been investigated. the results show that there are remarkable charge transfers from zn to o atoms in the zoo nanofilms. all the zoo nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. the decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. a staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in zno nanofilms. (c) 2009 elsevier b.v. all rights reserved. |
| WOS关键词 | NANOBELTS ; NANORINGS ; WURTZITE ; ENERGY |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000274420800011 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427794 |
| 专题 | 半导体研究所 |
| 通讯作者 | Wen, Yu-Hua |
| 作者单位 | 1.Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China 2.Xiamen Univ, Inst Theoret Phys & Astrophys, Xiamen 361005, Peoples R China 3.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kang, Jun,Zhang, Yang,Wen, Yu-Hua,et al. First-principles study on the structural and electronic properties of ultrathin zno nanofilms[J]. Physics letters a,2010,374(8):1054-1058. |
| APA | Kang, Jun,Zhang, Yang,Wen, Yu-Hua,Zheng, Jin-Cheng,&Zhu, Zi-Zhong.(2010).First-principles study on the structural and electronic properties of ultrathin zno nanofilms.Physics letters a,374(8),1054-1058. |
| MLA | Kang, Jun,et al."First-principles study on the structural and electronic properties of ultrathin zno nanofilms".Physics letters a 374.8(2010):1054-1058. |
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来源：半导体研究所
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