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2022 Fiscal Year Final Research Report

Materials design of two-dimensional octet AB compounds by bond engineering

Research Project

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Project/Area Number 20K05324
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 29020:Thin film/surface and interfacial physical properties-related
Research InstitutionMie University

Principal Investigator

Akiyama Toru  三重大学, 工学研究科, 准教授 (40362363)

Project Period (FY) 2020-04-01 – 2023-03-31
Keywords原子層物質 / 2層ハニカム構造 / ヤヌス型原子層 / 格子不整合度
Outline of Final Research Achievements

We performed first-principles calculations for AB-type binary compound using various structures including double-layer honeycomb (DLHC) structure and Haeckelite structure in addition to most stable structures in bulk phase. We found that the DLHC structure is the most stable when the film thickness is small. We also evaluated the formation of heterostructures containing AB-type binary materials with graphene and hexagonal BN. We revealed that the DLHC structure is stable for AB-type binary materials that proposed new type heterostructures composed of DLHC structure. Furthermore, we found that Janus monolayer can be formed for AB-type binary compound with DLHC structure.

Free Research Field

計算物性物理学

Academic Significance and Societal Importance of the Research Achievements

本研究の成果によって、オクテットAB型二元系材料による新たな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、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原子層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。

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Published: 2024-01-30  

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