First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms
文献类型：期刊论文
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| 作者 | Kang J (Kang Jun); Zhang Y (Zhang Yang); Wen YH (Wen Yu-Hua); Zheng JC (Zheng Jin-Cheng); Zhu ZZ (Zhu Zi-Zhong); Wen, YH, Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China. E-mail Address: yhwen@xmu.edu.cn; jczheng@xmu.edu.cn; zzhu@xmu.edu.cn |
| 刊名 | physics letters a, 374 (8): 1054-1058 feb 8 2010
 ; PHYSICS LETTERS A, 374 (8): 1054-1058 FEB 8 2010
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 374期号:8页码:1054-1058 |
| 关键词 | First-principles calculations First-principles Calculations Zno Nanofilms Electronic Properties Quantum Effects Nanobelts Nanorings Wurtzite Energy ZnO nanofilms Electronic properties Quantum effects NANOBELTS NANORINGS WURTZITE ENERGY |
| 通讯作者 | wen, yh, xiamen univ, dept phys, xiamen 361005, peoples r china. e-mail address: yhwen@xmu.edu.cn ; jczheng@xmu.edu.cn ; zzhu@xmu.edu.cn |
| 合作状况 | 国内 |
| 英文摘要 | first-principles calculations; zno nanofilms; electronic properties; quantum effects； nanobelts; nanorings; wurtzite; energy abstract: 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.; First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: 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.; submitted by zhangdi (zhangdi@red.semi.ac.cn) on 2010-04-21t16:36:12z no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-04-21t16:45:59z (gmt) no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5); made available in dspace on 2010-04-21t16:45:59z (gmt). no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5) previous issue date: 2010; 国内 |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 语种 | 英语 ; 英语 |
| 公开日期 | 2010-04-21 ; 2010-04-21 ; 2010-10-15 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/11171]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Wen, YH, Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China. E-mail Address: yhwen@xmu.edu.cn; jczheng@xmu.edu.cn; zzhu@xmu.edu.cn |
| 推荐引用方式 GB/T 7714 | Kang J ,Zhang Y ,Wen YH ,et al. First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms, First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms[J]. physics letters a, 374 (8): 1054-1058 feb 8 2010, PHYSICS LETTERS A, 374 (8): 1054-1058 FEB 8 2010,2010, 2010,374, 374(8):1054-1058, 1054-1058. |
| APA | Kang J .,Zhang Y .,Wen YH .,Zheng JC .,Zhu ZZ .,...&zzhu@xmu.edu.cn.(2010).First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms.physics letters a, 374 (8): 1054-1058 feb 8 2010,374(8),1054-1058. |
| MLA | Kang J ,et al."First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms".physics letters a, 374 (8): 1054-1058 feb 8 2010 374.8(2010):1054-1058. |
入库方式： OAI收割
来源：半导体研究所
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