The IV-IV semiconductor alloys have recently emerged as a possible candidate for the creation of non-polar, miscibility gaps semiconductor, with carrier mobility higher then those III-V and II-VI compounds. The GeSn and SiSn alloys is an important example of this semiconductor alloy, and understanding its phenomena is increasingly valuable as alloys become used in electronic devices today. Part of this understanding is the material’s atomic crystal structure, which is then the basis for the understanding other properties, such as the electronic band structure, defects, and surface growth morphologies.

In this work we report the theoretical study of atomic ordering in GeSn and SiSn semiconductor alloys. Our investigations were based on NVT molecular dynamic method with three-particle Tersoff’s potential of interactions with mirror-boundary conditions.

We calculated and analyzed the enthalpy of formation of ZB(zinc-blende)-ordered and RH(rhombohedral)-ordered Ge_0.5Sn_0.5 and Si_0.5Sn_0.5 alloys. The bond-length of Ge-Ge, Ge-Sn, Si-Si, Si-Sn and Sn-Sn bonds is calculated by using the radial-distribution functions. Also it was investigated the enthalpy of disordered Ge_0.5Sn_0.5 and Si_0.5Sn_0.5 alloys and compared with the ordered one and study of spontaneous atomic ordering. Our results are in a good agreement with recent experimental data.

• Legal notice:
  

  Copyright (c) Pielaszek Research, all rights reserved.
  The above materials, including auxiliary resources, are subject to Publisher's copyright and the Author(s) intellectual rights. Without limiting Author(s) rights under respective Copyright Transfer Agreement, no part of the above documents may be reproduced without the express written permission of Pielaszek Research, the Publisher. Express permission from the Author(s) is required to use the above materials for academic purposes, such as lectures or scientific presentations.
  In every case, proper references including Author(s) name(s) and URL of this webpage: https://science24.com/paper/3354 must be provided.

1. Quantum computations in ZnO:Fe³⁺ system
2. Evaluation of the efficiency of semiconductor materials for quantum computing
3. Modelling of the III-V thin films wettability
4. Peculiarities of the microhardness in Cd_1-xMn_xTe
5. HgCdMnZnTe: growth and physical properties
6. Study the wettability of III-N thin films with different bond ionicity and surface layers polarity
7. UNSTABLE MIXING REGIONS IN CdMnHgTe AND ZnMnHgTe SOLID SOLUTIONS
8. Charge transfer and thermodynamic stability of ternary nitride solid solutions