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Semiconductors
Published in: Semiconductors 7/2020

01-07-2020 | SURFACES, INTERFACES, AND THIN FILMS

First-Principle Investigation of the (001) Surface Reconstructions of GaSb and InSb Semiconductors

Authors: A. V. Bakulin, S. E. Kulkova

Published in: Semiconductors | Issue 7/2020

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Abstract

The atomic and electronic structures of reconstructions with the symmetry (2 × 4), (4 × 2), c(4 × 4), and (4 × 3) on the (001) surface of GaSb and InSb semiconductors are investigated by the projector augmented-wave method. It is shown that the reconstruction β2(2 × 4) is stable on the GaSb(001) surface in the cation-rich limit, while the α2(2 × 4) reconstruction has the lowest energy in the case of InSb. The reconstruction c(4 × 4) with three antimony dimers is found to be stable in the Sb-rich limit. The structures α(4 × 3) and β(4 × 3) are stable near the stoichiometric composition on the GaSb(001) surface, which agrees with the experimental data. The electronic structure of (4 × 3) reconstructions with the lowest surface energy is discussed. In case of (4 × 3) structures the weak influence of the chemical composition of cations on the structure and localization of surface states is revealed. A correlation between the surface energy of certain reconstructions (4 × 2) and (2 × 4) and a difference in the atomic radii of cations and anions is established.
previous article Modification of the Atomic and Electronic Structure of III–V Semiconductor Surfaces at Interfaces with Electrolyte Solutions (Review)
next article Effect of Interfaces and Thickness on the Crystallization Kinetics of Amorphous Germanium Films

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Metadata
Title
First-Principle Investigation of the (001) Surface Reconstructions of GaSb and InSb Semiconductors
Authors
A. V. Bakulin
S. E. Kulkova
Publication date
01-07-2020
Publisher
Pleiades Publishing
Published in
Semiconductors / Issue 7/2020
Print ISSN: 1063-7826
Electronic ISSN: 1090-6479
DOI
https://doi.org/10.1134/S1063782620070027

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