Material design of group-IV alloy monolayers using bond engineering concept

2019 Fiscal Year Final Research Report

• Project/Area Number: 17K05056
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: Mie University
• Principal Investigator: Akiyama Toru 三重大学, 工学研究科, 准教授 (40362363)
• Project Period (FY): 2017-04-01 – 2020-03-31
• Keywords: 原子層物質 / 第一原理計算 / 2層ハニカム構造 / トポロジカル絶縁体 / 混晶 / 混和性 / III-V族 / II-VI族

Outline of Final Research Achievements

In this research project, we found that the miscibility of alloy monolayer thin films such as SiGe and ternary monolayer thin films such as CSiGe and SiGeSn is greatly changed by lattice constraint by the growth substrate. The miscibility is improved depending on the composition. The band structures of these monolayer thin films were also examined. They possess a direct bandgap or a zero gap semiconductor with Dirac cone like graphene depending on the composition. Furthermore, we investigated the structures of compound semiconductors such group III-V and group II-VI materials, and clarified that the hexagonal structure, which is one of metastable structure in bulk phase, becomes stable when the thickness of a nitride semiconductor is small.

Free Research Field

計算物性物理学

Academic Significance and Societal Importance of the Research Achievements

本研究成果によって、組成制御によるバンドエンジニアリングの実現と新物質創製および新規物性の提案がなされた。これらの成果は、混晶原子層新物質によるハンドエンジニアリング、スピントロニクス等へと発展する可能性が高く、これら各研究分野におけるデバイス開発および素子応用へと波及していくことが考えられる。また本研究課題の成果は混晶原子層科学・エレクトロニクスの学理の構築に寄与しており、原子層科学ならびにナノ構造科学の進展に大きく貢献する意義がある。