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Modeling of the Crystallization and Correlation of the Properties with the Composition and Particle Size in Two-Dimensional GaSxSe1 – x (0 ≤ х ≤ 1)

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Abstract

The paper presents the results of modeling, theoretical and experimental investigations on the physicochemical conditions of the synthesis, calculation of the Т–х phase diagram, thermodynamics and kinetics of crystallization, and correlation of the properties with the composition and grain sizes of semiconducting solid solutions in the two-dimensional (2D) GaS–GaSe system, in which the complete range of GaSxSe1 – x (0 ≤ х ≤ 1) solid solutions is formed. GaSxSe1 – x (0 ≤ х ≤ 1) solid solutions are synthesized and, using the methods of physicochemical analysis, individual thermodynamic phases are identified. In the context of the developed model of solutions close to ideal solutions, the physicochemical and thermodynamic patterns of behavior of the GaS–GaSe Т–х phase diagram are determined. Using a thermodynamic technique, the temperature-concentration dependences of the change in the Gibbs free energy for GaSxSe1 – x (0 ≤ х ≤ 1) solid solutions are determined. The regularities of the kinetics of nucleation and crystallization, as well as the thermodynamics of cluster formation in multicomponent 2D systems are modeled. Electronic band structures of 2D GaS and GaSe are calculated within the framework of density functional theory. From theoretical calculations, the band gaps for GaS and GaSe monolayers are determined. The electrical absorption spectra of amorphous-film and bulk single-crystal GaSe samples are analyzed.

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Funding

This study was supported by the Science Development Foundation under the President of the Republic of Azerbaijan, project no. EİF-BGM-4-RFTF-l/2017-21/05/l-M-07 and the Russian Foundation for Basic Research, project no. 18-57-06001 no. Az_a 2018.

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Authors and Affiliations

  1. Naghiyev Institute of Catalysis and Inorganic Chemistry, Azerbaijan National Academy of Sciences, AZ1143, Baku, Azerbaijan

    S. M. Asadov

  2. Institute of Physics, Azerbaijan National Academy of Sciences, AZ1143, Baku, Azerbaijan

    S. N. Mustafaeva

  3. Valiev Institute of Physics and Technology, Russian Academy of Sciences, 117218, Moscow, Russia

    V. F. Lukichev

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  1. S. M. Asadov
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  2. S. N. Mustafaeva
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  3. V. F. Lukichev
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Correspondence to S. M. Asadov or V. F. Lukichev.

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Translated by Z. Smirnova

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Asadov, S.M., Mustafaeva, S.N. & Lukichev, V.F. Modeling of the Crystallization and Correlation of the Properties with the Composition and Particle Size in Two-Dimensional GaSxSe1 – x (0 ≤ х ≤ 1). Russ Microelectron 49, 452–465 (2020). https://doi.org/10.1134/S1063739721010042

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