First principles investigation on optical-control of electronic structure

2023 Fiscal Year Final Research Report

• Project/Area Number: 20K14382
• Research Category: Grant-in-Aid for Early-Career Scientists
• Allocation Type: Multi-year Fund
• Review Section: Basic Section 13020:Semiconductors, optical properties of condensed matter and atomic physics-related
• Research Institution: University of Tsukuba
• Principal Investigator: Sato Shunsuke 筑波大学, 計算科学研究センター, 准教授 (90855462)
• Project Period (FY): 2020-04-01 – 2024-03-31
• Keywords: 超高速現象

Outline of Final Research Achievements

In this study, to achieve flexible control of electronic states using light, we analyzed the nonequilibrium and nonlinear dynamics of electrons driven by light in materials through first-principles electronic calculations based on time-dependent density functional theory and quantum dynamics calculations based on the quantum master equation. As a result, we found that under high-intensity light, the optical and transport properties of materials change at ultrafast speeds, and we elucidated the microscopic physical processes behind these property changes, such as changes in electronic states and occupancy effects.

Free Research Field

光物性

Academic Significance and Societal Importance of the Research Achievements

本研究は、光による電子状態の制御を目指し、時間依存密度汎関数理論と量子ダイナミクス計算を用いて電子の非平衡・非線形ダイナミクスを解析した。学術的意義として、超高速ダイナミクスや微視的物理過程の解明に貢献し、理論物理学と材料科学の進展に寄与する。社会的意義としては、次世代デバイスやエネルギー変換技術、新材料の開発における革新を促進する。これにより、再生可能エネルギーの利用拡大や高性能デバイスの実現が期待される。