Study of Surface Stability and Electronic Structure of a Bi-terminated InAs (001) Surface Based on Ab Initio Calculations

被引：0
|
作者：
Khouloud Kourchid
Ramzi Alaya
Ahmed Rebey
Mourad Mbarki
机构：
[1] University of Gabes,Laboratory for Physics of Materials and Nanomaterials applied to the Environment (LaPhyMNE), Faculty of Science of Gabes
[2] University of Jeddah,Physics Department, Faculty of Science of Jeddah
[3] Rustaq College of Education,Department of Science, Ministry of Higher Education
[4] Qassim University,College of Science
来源：
Journal of Electronic Materials | 2021年 / 50卷
关键词：
InA (001) clean surface; Bi/InAs (001)-β; (2 × 4) and α; (2 × 4) reconstructions; structural and electronic properties;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In the present work, we have performed a detailed study on the influence of Bi adsorption on the structural and electronic properties of the InAs (001) surface. We have considered five prototypes of Bi/InAs (001)-β2(2 × 4) and α2(2 × 4) structures with different Bi coverage Θ. We have revealed that the substitution of As dimers by Bi atoms introduces structural and geometrical change on the InAs (001) surface. At As-rich conditions, our obtained results prove that the increasing of Bi coverage Θ can stabilize the Bi/InAs (001) structure. The electronic structure of the β2 and α2 are also presented.
引用
收藏
页码：3527 / 3536
页数：9
相关论文
共 50 条
  • [1] Study of Surface Stability and Electronic Structure of a Bi-terminated InAs (001) Surface Based on Ab Initio Calculations
    Kourchid, Khouloud
    Alaya, Ramzi
    Rebey, Ahmed
    Mbarki, Mourad
    JOURNAL OF ELECTRONIC MATERIALS, 2021, 50 (06) : 3527 - 3536
  • [2] Surface reconstruction stability and configurational disorder on Bi-terminated GaAs(001)
    Duzik, Adam
    Thomas, John C.
    van der Ven, Anton
    Millunchick, Joanna M.
    PHYSICAL REVIEW B, 2013, 87 (03):
  • [3] Structural properties of Bi-terminated GaAs(001) surface
    Ahola-Tuomi, M.
    Laukkanen, P.
    Perala, R. E.
    Kuzmin, M.
    Pakarinen, J.
    Vayrynen, I. J.
    Adell, M.
    SURFACE SCIENCE, 2006, 600 (11) : 2349 - 2354
  • [4] Ab Initio calculations for the BaTiO3(001) surface structure
    Xue, XY
    Wang, CL
    Zhong, WL
    CHINESE PHYSICS LETTERS, 2004, 21 (05) : 825 - 828
  • [5] Ab initio calculations of MgF2 (001) and (011) surface structure
    Vassilyeva, A. F.
    Eglitis, R. I.
    Kotomin, E. A.
    Dauletbekova, A. K.
    PHYSICA B-CONDENSED MATTER, 2010, 405 (08) : 2125 - 2127
  • [6] An ab initio cluster study of the structure of the Si(001) surface
    Shoemaker, J
    Burggraf, LW
    Gordon, MS
    JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (06): : 2994 - 3005
  • [7] Electronic and magnetic properties of Al adsorption on α-uranium (001) surface: Ab initio calculations
    Nie, J. L.
    Xiao, H. Y.
    Gao, Fei
    Zu, X. T.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2009, 476 (1-2) : 675 - 682
  • [8] Si and H adsorption on the silicon terminated β-SiC(001) surface:: an ab initio study
    Catellani, A
    Pizzagalli, L
    Galli, G
    MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY, 2002, 96 (02): : 132 - 136
  • [9] Surface Relaxations, Surface Energies and Electronic Structures of BaSnO3 (001) Surfaces: Ab Initio Calculations
    A. Slassi
    M. Hammi
    O. El Rhazouani
    Journal of Electronic Materials, 2017, 46 : 4133 - 4139
  • [10] MgO(001) surface phonons from ab initio calculations
    Shpakov, V
    Gotte, A
    Baudin, M
    Woo, T
    Hermansson, K
    PHYSICAL REVIEW B, 2005, 72 (19)
12345