Adsorption, diffusion, and site exchange for Ge ad-dimers on Sb-covered Si(001) from first-principles total-energy calculations

IMR OpenIR

	Adsorption, diffusion, and site exchange for Ge ad-dimers on Sb-covered Si(001) from first-principles total-energy calculations
	E. Z. Liu; C. Y. Wang; J. T. Wang
	2006
发表期刊	Physical Review B
ISSN	1098-0121
卷号	74 期号:7
摘要	The adsorption and diffusion of Ge adatoms and ad-dimers on the one-monolayer Sb-covered Si(001) surface are studied using first-principles total-energy calculations. It is shown that Ge adatoms and ad-dimers can both break Sb dimers because of the weak bonding of the Sb dimers on Si(001). As a result, the most stable sites are both on the Sb dimer rows for Ge adatoms and ad-dimers, which is in significant contrast to the conventional picture that the most stable site for a Ge ad-dimer is in the trough between the group-V element dimer rows. We have also examined the energetics of the site exchange between Ge and Sb atoms for the surfactant-mediated growth and find that Ge ad-dimers tend to exchange with the subsurface Sb atoms one by one perpendicular to the surface dimer rows.
部门归属	tsing hua univ, dept phys, beijing 100084, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chinese acad sci, inst phys, beijing natl lab condensed matter phys, beijing 100080, peoples r china.;liu, ez (reprint author), tsing hua univ, dept phys, beijing 100084, peoples r china
关键词	Mediated Epitaxial-growth Surfactants
URL	查看原文
WOS记录号	WOS:000240238800054
引用统计	被引频次：27[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/321006/34346
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	E. Z. Liu,C. Y. Wang,J. T. Wang. Adsorption, diffusion, and site exchange for Ge ad-dimers on Sb-covered Si(001) from first-principles total-energy calculations[J]. Physical Review B,2006,74(7).
APA	E. Z. Liu,C. Y. Wang,&J. T. Wang.(2006).Adsorption, diffusion, and site exchange for Ge ad-dimers on Sb-covered Si(001) from first-principles total-energy calculations.Physical Review B,74(7).
MLA	E. Z. Liu,et al."Adsorption, diffusion, and site exchange for Ge ad-dimers on Sb-covered Si(001) from first-principles total-energy calculations".Physical Review B 74.7(2006).