Ab initio-based approach to initial incorporation of Bi on |GaAs(001)-c(4 x 4)α surface

被引:5
|
作者
Murase, Isao [1 ]
Akiyama, Toru [1 ]
Nakamura, Kohji [1 ]
Ito, Tomonori [1 ]
机构
[1] Mie Univ, Dept Engn Phys, Tsu, Mie 5148507, Japan
关键词
Computer simulation; Phase diagrams; Surface structure; Molecular beam epitaxy; Bismuth compounds; ADSORPTION-DESORPTION BEHAVIOR; SEMICONDUCTOR SURFACES; THEORETICAL APPROACH; GROWTH; STRESS; MODEL;
D O I
10.1016/j.jcrysgro.2012.12.047
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The initial incorporation processes of bismuth on GaAs(001)-c(4 x 4) surface are investigated by using our ab initio-based approach taking chemical potentials in the gas phase into account. The calculated surface phase diagrams obtained by comparing the adsorption energy with the gas-phase chemical potential demonstrate that the form of incorporated Bi depends on the growth conditions. The Ga-Bi dimer easily adsorbs on the missing dimer region of the c(4 x 4)alpha surface where as the Bi-Bi dimer adsorption occurs after the Ga-As dimer desorption on the surface with a Ga-Bi dimer. These results imply that the adsorption of Bi-Bi dimer accompanied with Ga-As dimer desorption is crucial for the growth process of GaAsBi on GaAs(001) substrates. (c) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码:21 / 24
页数:4
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