Critical role of the surface reconstruction in the thermodynamic stability of {105} Ge pyramids on Si(001) -: art. no. 256103

被引：101
作者：
Raiteri, P
Migas, DB
Miglio, L
Rastelli, A
von Känel, H
机构：
[1] Univ Milano Bicocca, INFM, I-20125 Milan, Italy
[2] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
[3] Univ Pavia, INFM, I-27100 Pavia, Italy
[4] Univ Pavia, Dipartimento Fis A Volta, I-27100 Pavia, Italy
[5] Swiss Fed Inst Technol, Festkorperphys Lab, CH-8093 Zurich, Switzerland
来源：
PHYSICAL REVIEW LETTERS | 2002年 / 88卷 / 25期
关键词：
D O I：
10.1103/PhysRevLett.88.256103
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We show by molecular dynamics simulations on a scale comparable to experimental dimensions that a peculiar surface reconstruction of the {105} facets is responsible for the stability of Ge pyramids on Si(001). This finding is confirmed by ab initio total energy calculations for competing surface reconstructions and a very satisfactory comparison of the corresponding charge density maps to scanning tunneling microscopy measurements of the facets, both for filled and empty states.
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