Calculational Evaluation of the Adsorption–Desorption Behavior of Pyrolysis Products in GaAsxP1 –x Metalorganic Vapor Phase Epitaxy

Abstract—: Density functional theory calculations have been used to determine the adsorption and desorption potentials of pyrolysis products on the substrate in the GaAsxP1 –x/GaAs metalorganic vapor phase epitaxy process. The results have been used in kinetic Monte Carlo simulation of the behavior of the pyrolysis products on the growth surface, with allowance for adsorption, desorption, and diffusion. The simulation results agree well with experimental data. The proposed calculation algorithm can be used to study the adsorption–desorption behavior of materials in other systems. © 2022, Pleiades Publishing, Ltd.

Authors
Maksimov A.D.1 , Davydkin M.A.1 , Bagaev T.A. 2, 3 , Andreev A.Y.2 , Yarotskaya I.V.2 , Ladugin M.A. 2 , Marmalyuk A.A. 2
Journal
Inorganic Materials
Number of issue
4
Language
English
Pages
425-432
Status
Published
Link
External link
DOI
10.1134/S0020168522040112
Volume
58
Year
2022
Organizations
  • 1 Moscow Institute of Radio Engineering, Electronics, and Automation, Russian Technological University, Moscow, 119454, Russian Federation
  • 2 AO Stel’makh Polyus Research Institute, Moscow, 117342, Russian Federation
  • 3 Russian University of Peoples’ Friendship, Moscow, 117198, Russian Federation
Keywords
adsorption; density functional theory; desorption; GaAsP; metalorganic vapor phase epitaxy
Date of creation
06.07.2022
Date of change
06.07.2022
Short link
https://repository.rudn.ru/en/records/article/record/83684/
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