Halogen adsorption at an As-stabilized β2–GaAs (001)–(2 × 4) surface
- 作者: Bakulin A.1,2, Kulkova S.1,2
-
隶属关系:
- Institute of Strength Physics and Materials Science, Siberian Branch
- National Research Tomsk State University
- 期: 卷 50, 编号 2 (2016)
- 页面: 171-179
- 栏目: Surfaces, Interfaces, and Thin Films
- URL: https://journals.rcsi.science/1063-7826/article/view/196748
- DOI: https://doi.org/10.1134/S1063782616020056
- ID: 196748
如何引用文章
详细
Halogen (F, Cl, Br, and I) adsorption at an As-stabilized GaAs (001) surface with the β2–(2 × 4) reconstruction is studied using the plane-wave projected-augmented wave method. The effect of halogens on the structural and electronic characteristics of the semiconductor surface is analyzed. The T2′ site at the missing row edge is shown to be the energetically most favorable for the adsorption of F, Cl, and Br, whereas I prefers the H3 site between adjacent arsenic dimers in the third layer from the surface. Ga-halogen bond formation suggests that charge is transferred via the depletion of occupied orbitals of the As-dimer surface atoms, which leads to the weakening of Ga–As bonds in the substrate. The weakening of bonds between substrate-surface atoms due to the interaction of halogens with the surface is estimated.
作者简介
A. Bakulin
Institute of Strength Physics and Materials Science, Siberian Branch; National Research Tomsk State University
编辑信件的主要联系方式.
Email: bakulin@ispms.tsc.ru
俄罗斯联邦, Tomsk, 634055; Tomsk, 634050
S. Kulkova
Institute of Strength Physics and Materials Science, Siberian Branch; National Research Tomsk State University
Email: bakulin@ispms.tsc.ru
俄罗斯联邦, Tomsk, 634055; Tomsk, 634050