当前位置: X-MOL 学术Russ. Microelectron. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Modeling of the Crystallization and Correlation of the Properties with the Composition and Particle Size in Two-Dimensional GaS x Se 1 – x (0 ≤ х ≤ 1)
Russian Microelectronics Pub Date : 2021-01-27 , DOI: 10.1134/s1063739721010042
S. M. Asadov , S. N. Mustafaeva , V. F. Lukichev

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.



中文翻译:

二维GaS x Se 1 – x(0≤х≤1)的结晶过程及其与成分和粒径的关系

摘要

本文介绍了合成的物理化学条件的建模,理论和实验研究的结果,Т–х相图的计算,结晶的热力学和动力学以及性质与半导体固溶体的组成和晶粒大小的相关性在二维(2D)GaS–GaSe系统中,形成了完整范围的GaS x Se 1 –  x(  0≤х≤1  )固溶体。砷化镓x1 –  x(  0≤х ≤1)合成固溶体,并使用理化分析方法鉴定出各个热力学相。在已开发的溶液模型接近理想溶液的情况下,确定了GaS–GaSe Т–х相图行为的物理化学和热力学模式。使用热力学技术,温度浓度的吉布斯自由能的变化为气体的依赖性X- 1  X  (0≤  х ≤1)确定固溶体。对多组分2D系统中成核和结晶动力学的规律性以及团簇形成的热力学进行了建模。在密度泛函理论的框架内计算了二维GaS和GaSe的电子能带结构。根据理论计算,确定了GaS和GaSe单层的带隙。分析了非晶膜和块状单晶GaSe样品的电吸收光谱。

更新日期:2021-01-28
down
wechat
bug