Thermodynamic Database for Alloy Semiconductor Systems.

合金半导体系统的热力学数据库。

基本信息

批准号：
09044124
负责人：
ISHIDA Kiyohito
金额：
$ 3.14万
依托单位：
Tohoku University
依托单位国家：
日本
项目类别：
Grant-in-Aid for international Scientific Research
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1998
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09044124/
关键词：
III-V compound semiconductor phase diagram thermodynamic database opto-electronics liquid phase epitaxy vapor phase epitaxy phase equilibria strain energy CALPHAD

项目摘要

III-V compound semiconductors (III=AI, Ga, In : V=P, As, Sb) have various outstanding properties which can not be obtained by Si semiconductor. Furthermore, mixture of these compounds which is called as III-V crystal alloy semiconductor gives possibilities to control its physical properties arbitrarily such as the band gap energy and the lattice constant by its composition. Therefore, III-V crystal alloy semiconductors are of great significance for opto-electronics and high-speed devices. In order to realize the desirable properties, i.e., to create the crystal alloy with appropriate composition by Liquid Phase Epitaxy (LPE) method under the condition of near phase equilibria, phase diagrams are indispensable for controlling their microstructures and compositions. However, it was reported that a thin epitaxial layer on a substrate exhibited completely different phase equilibria from those of bulk materials, for instance, deviation of equilibrium composition, formation of unexpected pha … More ses and so on. In this research, thermodynamic analysis on the phase equilibria of III-V crystal alloy semiconductor was carried out based on the thermodynamic data and experimental results. Then, thermodynamic database has been established for calculating the phase equilibria of both bulk and thin layer materials.Gibbs energies of the liquid phase and the compound are described by the sub-regular solution approximation and the two-sublattice model respectively. The strain energy was taken into account for calculating the stability of a thin epitaxial layer grown on a substrate.Thermodynamic parameters of eleven ternary systems have been evaluated and thermodynamic database for III-V alloy semiconductors has been constructed with or without taking account of a strain energy between a epitaxial layer and a substrate. The effect of the strain energy which is caused from the epitaxy between a crystal layer and a substrate can be seen, for instance, when a GaAs-GaSb crystal alloy is grown epitaxially on the (100) plane of lnP substrate. According to the result of calculations, unexpected homogeneous phase appears when its thickness is him and its composition is 5 lmol% GaAs which corresponds to the lattice matching composition. This is in good agreement with the experimental result of LPE by Quillec et al. The results of calculations for various combinations between thin layers and substrates show that phase stability of an epitaxial layer depends on the lattice constant and the crystal orientation of the substrate and on the thickness of the epitaxial layer. Less

III-V复合半导体（III = AI，GA，in：V = P，AS，SB）具有各种出色的特性，无法通过SI半导体获得。此外，这些化合物的混合物称为III-V晶体合金半导体，可以任意控制其物理特性，例如带隙能和晶格通过其组成来控制其物理特性。因此，III-V晶体合金半导体对光电和高速设备具有重要意义。为了实现所需的特性，即，在近相等伦比亚的条件下，通过液相交往（LPE）方法适当组成的晶体合金，相图是必不可少的，以控制其显微结构和组合物。然而，据报道，基材上的一个薄薄层与散装材料的相等相等的相等介绍，例如平衡组成的偏差，出乎意料的PHA的形成……更多SES等。在这项研究中，基于热力学数据和实验结果，对III-V晶体合金半导体的相位当量相等的热力学分析进行了。然后，已经建立了热力学数据库，以计算大量和薄层材料的相等相等的相等。考虑了应变能的计算在基质上生长的薄外延层的稳定性。已经评估了11个三元系统的热力动力学参数，并在有或没有考虑到固定层之间的a层构造的IIIII-V合金半导体的热力学数据库。应变能的效果与LPE的实验结果非常吻合，这是通过计算结果的实验结果，当其厚度为他的厚度时，出现意外均相相对于晶格匹配的组成而出现了5 lmol％GAA。 Quillec等。薄层和底物之间各种组合的计算结果表明，外延层的相位稳定性取决于晶格常数和底物的晶体方向以及外延层的厚度。较少的