First-principles calculations of reconstructed [0001] zno nanowires
文献类型：期刊论文
| 作者 | Fan, Wei; Xu, Hu; Rosa, A. L.; Frauenheim, Th.; Zhang, R. Q. |
| 刊名 | Physical review b
 |
| 出版日期 | 2007-08-01 |
| 卷号 | 76期号:7页码:4 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/physrevb.76.073302 |
| 通讯作者 | Rosa, a. l.(darosa@bccms.uni-bremen.de) |
| 英文摘要 | We employ density-functional theory within the generalized-gradient approximation to investigate infinitely long [0001] zno nanowires with hexagonal cross section. we report atomic relaxations, formation energies, and electronic structure of bare zno wires with small diameters. we find that relaxations on the facets are very similar to the ones in nonpolar (10 (1) over bar0) surfaces and play an important role in stabilizing the nanowires. all wires are found to be semiconducting, with band gaps larger than that in bulk zno. |
| WOS关键词 | ARRAYS ; ENERGY |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000249155300010 |
| 出版者 | AMER PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2380675 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Rosa, A. L. |
| 作者单位 | 1.Univ Bremen, BCCMS, D-28359 Bremen, Germany 2.Chinese Acad Sci, Tech Inst Phys & Chem, Nanoorg Photoelect Lab, Beijing 100101, Peoples R China 3.Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R China 4.City Univ Hong Kong, Dept Phys & Mat Sci, Ctr Super Diamond & Adv Films, Hong Kong, Hong Kong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fan, Wei,Xu, Hu,Rosa, A. L.,et al. First-principles calculations of reconstructed [0001] zno nanowires[J]. Physical review b,2007,76(7):4. |
| APA | Fan, Wei,Xu, Hu,Rosa, A. L.,Frauenheim, Th.,&Zhang, R. Q..(2007).First-principles calculations of reconstructed [0001] zno nanowires.Physical review b,76(7),4. |
| MLA | Fan, Wei,et al."First-principles calculations of reconstructed [0001] zno nanowires".Physical review b 76.7(2007):4. |
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来源：中国科学院大学
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