Adsorption geometries and vibrational modes of C2H2 on the Si(001) surface

被引：99
作者：
Morikawa, Y [1 ]
机构：
[1] Natl Inst Adv Interdisciplinary Res, Joint Res Ctr Atom Technol, 1-1-4 Higashi, Tsukuba, Ibaraki 3058562, Japan
[2] Japan Adv Inst Sci & Technol, Sch Mat Sci, Tatsunokuchi, Ishikawa 9231292, Japan
来源：
PHYSICAL REVIEW B | 2001年 / 63卷 / 03期
关键词：
D O I：
10.1103/PhysRevB.63.033405
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Adsorption geometries and vibrational modes of C2H2 on the Si(001) surface are studied by means of density-functional theory within the generalized gradient approximation. By comparing theoretically calculated high-resolution electron-energy-loss spectra with experimentally reported spectra, it is clearly shown that at least two energetically most stable adsorption states coexist.
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页数：4
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