| Spin and band-gap engineering in copper-doped BN sheet | |
| Y. G. Zhou; X. D. Jiang; G. Duan; F. Gao; X. T. Zu | |
| 2010 | |
| Source Publication | Chemical Physics Letters
 |
| ISSN | 0009-2614 |
| Volume | 491Issue:4-6Pages:203-207 |
| Abstract | We perform first-principles calculations on single- or dimer-Cu-absorbed-BN sheet. It was found that the band gap of BN sheet was reduced due to the emergence of certain impurity states arisen from Cu atom. The value of band gap depends on the adsorption configuration. Unpaired electron in absorbed single- Cu atom is polarized causing a magnetic moment of 1.0 mu(B), while no magnetic moment has been detected after dimer-Cu adsorption. Comparing the analogous carbon nanostructures, Cu-absorbed BN sheet is more resistant to oxidation and thereby is more experimentally accessible. (C) 2010 Elsevier B. V. All rights reserved. |
| description.department | [zhou, y. g.; jiang, x. d.; duan, g.; zu, x. t.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [zhou, y. g.; zu, x. t.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. [jiang, x. d.; gao, f.] china acad engn phys, res ctr laser fus, mianyang 621900, peoples r china. [gao, f.] pacific nw natl lab, richland, wa 99352 usa.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;jiangxdong@163.com xiaotaozu@yahoo.com |
| Keyword | Total-energy Calculations Wave Basis-set |
| URL | 查看原文 |
| WOS ID | WOS:000277264500018 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/31782 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | Y. G. Zhou,X. D. Jiang,G. Duan,et al. Spin and band-gap engineering in copper-doped BN sheet[J]. Chemical Physics Letters,2010,491(4-6):203-207. |
| APA | Y. G. Zhou,X. D. Jiang,G. Duan,F. Gao,&X. T. Zu.(2010).Spin and band-gap engineering in copper-doped BN sheet.Chemical Physics Letters,491(4-6),203-207. |
| MLA | Y. G. Zhou,et al."Spin and band-gap engineering in copper-doped BN sheet".Chemical Physics Letters 491.4-6(2010):203-207. |
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