Bond-responsive relaxation model: a microscopic property of a si(111)-7 x 7 surface responding to the desorption of single adatoms
文献类型：期刊论文
| 作者 | Zhao, YF; Pang, SJ; Liu, SD; Xie, SS |
| 刊名 | Surface science
 |
| 出版日期 | 1999-08-10 |
| 卷号 | 436期号:1-3页码:L729-l734 |
| 关键词 | Silicon surface Relaxation Tight-binding calculation |
| ISSN号 | 0039-6028 |
| 通讯作者 | Zhao, yf() |
| 英文摘要 | Within the tight-binding approximation, the binding energy of a condensed system can be expanded to individual atoms. these site-specific binding energy terms (sbes) are calculated for a si(111)-(7 x 7) surface. we find that the sbes of the adatoms agree well with the desorption energies of the corresponding adatoms, in terms of both the relative values measured in experiments [uchida et al., phys. rev. lett. 70 (1993) 2040] and the absolute values estimated from the available results of ab initio calculations. on the basis of this result, a bond-responsive relaxation property of the substrate responding to the desorption of single adatoms can be deduced. that is, if an adatom is extracted, the relaxation energy of the substrate will be half of the bond-counting energy between the adatom and the substrate in the original (before extraction) configuration. this relaxation property is generalized to be a so-called bond-responsive relaxation model; its condition of applicability is discussed and a test case is presented. (c) 1999 elsevier science b.v. all rights reserved. |
| WOS关键词 | TAKAYANAGI RECONSTRUCTION ; MOLECULAR-DYNAMICS ; SILICON CLUSTERS ; ATOMIC-SCALE ; BINDING |
| WOS研究方向 | Chemistry ; Physics |
| WOS类目 | Chemistry, Physical ; Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000082456200016 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2373853 |
| 专题 | 物理研究所 |
| 通讯作者 | Zhao, YF |
| 作者单位 | 1.Chinese Acad Sci, Lab Vacuum Phys, Ctr Condensed Matter Phys, Beijing 100080, Peoples R China 2.Univ Louisville, Dept Phys, Louisville, KY 40292 USA |
| 推荐引用方式 GB/T 7714 | Zhao, YF,Pang, SJ,Liu, SD,et al. Bond-responsive relaxation model: a microscopic property of a si(111)-7 x 7 surface responding to the desorption of single adatoms[J]. Surface science,1999,436(1-3):L729-l734. |
| APA | Zhao, YF,Pang, SJ,Liu, SD,&Xie, SS.(1999).Bond-responsive relaxation model: a microscopic property of a si(111)-7 x 7 surface responding to the desorption of single adatoms.Surface science,436(1-3),L729-l734. |
| MLA | Zhao, YF,et al."Bond-responsive relaxation model: a microscopic property of a si(111)-7 x 7 surface responding to the desorption of single adatoms".Surface science 436.1-3(1999):L729-l734. |
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