Layered Growth Model For Alloys Of Groups Ⅲ-Ⅴ And Ⅳ

With special electronic structure, the group III-V elements and group IV elements compose varies semiconductor materials. Those materials have wide application in our life, and they have attracted more and more people to study them.Based on the simulating ordered structure's process of SiC, we studied the material of SiCAlN's growth process by using the first-principles calculation and simulating kinetic growth environment. Here, we mainly take layered growth model and epitaxial growth method to study material's ordered structure.Because epitaxial growth is not a balance process, kinetic feature is the most important factor which can control the structure's formulation during the epitaxial growth. We take the first-principles calculation and cluster-expansion method to get the parameter of interaction of layers; then by adjusting the temperature of growth or the rate of growth speed, we can control kinetic process of epitaxial growth, and abtain the formulation of ordered structure finally. During the process of epitaxial growth, we found that following the change of growth condition, there is an ordering-orintation transition due to the kinetic anisotrophy.In character one, we will show you what we did in the paper simply. At first, we will introduce you the layered growth model, and then we abstract what we studied to SiC and SiCAlN by the mentioned model. In character two, we display the mainly calculation method we used in this paper. Before we studied the material of SiCAlN, we simulated the process of growth of SiC what others have done it by layered growth model in character three. At last we will show you our work of studying the material of SiCAlN, and we predict some structures during the kinetic process of layered growth. We also calculate the short ordered structures'electronic property of SiCAlN.