半導体材料設計と量子論的成長シミュレーション(<小特集> エピタキシャル成長の量子論)

概要

論文の詳細を見る
Recent progress in computer-aided materials design and thin film growth simulation is briefly reviewed in the area of semiconductors. Reliable predictions can now be made for a wide range of problems, such as band structure and structural and thermodynamic properties of various semiconductors, using quantum mechanical approach such as pseudopotential method. Furthermore, recent fabrication techniques make it possible to create various new metastable materials by controlling the atomic arrangements, such that many atomic species with different valencies can be selected. Under these circumstances, quantum mechanical simulation of thin film growth is desirable to establish the materials design, where the dynamic changes of new materials' properties during thin film growth can be interpreted and predicted. To this end, MC simulation of adsorption sequenc on the GaAs (001) surface is performed and exemplified as quantum mechanical simulation of thin film growth. It is noted that considering ineratomic-bond characteristics will be essential in the future materials design based on the quantum mechanical simulation of thin film growth.
日本結晶成長学会の論文
1996-03-25