Ab Initio Study of GaSb(001)-c(2 x 10) and (2 x 10) Reconstructions

被引：2
作者：
Romanyuk, Oleksandr [1 ]
Braun, Wolfgang [1 ]
Grosse, Frank [2 ]
机构：
[1] Paul Drude Inst Festkorperelekt, Hausvogteiplatz 5-7, D-10117 Berlin, Germany
[2] Univ Berlin, Inst Phys Humboldt, D-12489 Berlin, Germany
来源：
E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY | 2009年 / 7卷
关键词：
Density functional calculations; Surface energy; Surface relaxation and reconstruction; Gallium antimonide; Semiconducting surfaces; Growth;
D O I：
10.1380/ejssnt.2009.429
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
GaSb(001) surface reconstructions with the experimentally observed (2 x 10) and c(2 x 10) symmetry are investigated employing density functional theory. Total energy calculations are carried out for a significant number of reconstructions, including the previously suggested metallic structures and new models which fulfill the electron counting rule. Special attention is given to the incorporation of Ga atoms during the initial steps of growth. It is shown, that none of these reconstructions is thermodynamically stable. This suggests that (2 x 10) and c(2 x 10) structures are kinetically stabilized under experimental conditions.
引用
收藏
页码：429 / 431
页数：3
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