Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface

IMR OpenIR

	Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface
	H. Y. Xiao; X. T. Zu; Y. F. Zhang; F. Gao
	2006
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	323 期号:2-3 页码:383-390
摘要	First-principles calculations based on DFT-GGA method have been performed on rubidium adsorption on Si(001)(2 x 1) surface. The atomic and electronic structures of Si(001)(2 x 1)-Rb have been calculated and compared with those of Cs adsorption [H.Y. Xiao, X.T. Zu, Y.F. Zhang, L. Yang, J. Chem. Phys. 122 (2005) 174704]. It turns out that the saturation coverage of Rb is one monolayer rather than half a monolayer, similar to that of Cs adsorption. Comparison of Rb on Si(001)(2 x 1) with Cs adsorption showed that at saturation coverage larger alkali metal (AM) atom leads to stronger AM-AM interaction and weaker AM-Si interaction. However, for low coverage of 0.25 and 0.5 ML the Rb-Si interaction is surprisingly weaker than Cs-Si interaction. Further detailed analysis suggested that this is a consequence of depolarization effect with decreasing AM size below I ML coverage. For the saturation coverage, the dispersion curves show that the surface is of semi-conducting character. This result does not support the direct and inverse angle-resolved photoemission investigation where a metallization is observed at saturation coverage. (c) 2005 Elsevier B.V. All rights reserved.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. fuzhou univ, dept chem, fuzhou 350002, peoples r china. 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;xiaotaozu@yahoo.com
关键词	First-principles Calculations Rubidium Adsorption Silicon Adsorbed Si(100) Surfaces Angle-resolved Photoemission Potassium Double-layer X-ray-diffraction Photoelectron-spectroscopy 2x1-k Surface Cs Si(001)-(2x1) Overlayer Cesium
URL	查看原文
WOS记录号	WOS:000237378100025
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34597
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Xiao,X. T. Zu,Y. F. Zhang,et al. Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface[J]. Chemical Physics,2006,323(2-3):383-390.
APA	H. Y. Xiao,X. T. Zu,Y. F. Zhang,&F. Gao.(2006).Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface.Chemical Physics,323(2-3),383-390.
MLA	H. Y. Xiao,et al."Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface".Chemical Physics 323.2-3(2006):383-390.