Controlling the Structure and Photoproperties of SiV Diamond Nanoslab at Room Temperature by External Pressure for Optical Measurements of Temperature and Pressure

2023 Fiscal Year Final Research Report

• Project/Area Number: 20K05419
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 32010:Fundamental physical chemistry-related
• Research Institution: Kyoto University
• Principal Investigator: Kim Hyeon-Deuk 京都大学, 理学研究科, 助教 (30378533)
• Project Period (FY): 2020-04-01 – 2024-03-31
• Keywords: 空孔ダイヤモンド / 量子センサ / 量子ビット / NVダイヤモンド / SiVダイヤモンド

Outline of Final Research Achievements

We computationally elucidated the effects of the external pressure on structures, orbitals, photoproperties, and vibrational dynamics of a silicon vacancy (SiV) diamond nanoslab (DNS). We studied its attributes not only on the ground state at 0 K but also on the excited state around room temperature (RT) using an ab initio molecular dynamics simulation. We found that the compression induces the shrunk SiV defect structures, the rearranged defect orbital energies, the switch of the optical transition from the SiV－SiV excitation to the nanoslab－SiV excitation, the hybridization of the SiV with nanoslab carbon (C) orbitals. The energies of absorption, emission, and zero-phonon line do not change monotonically but have the maxima below a 7%-compression. It is remarkable that all of these changes are caused only by the mechanical compression and that the compression differently pronounces the temperature effect.

Free Research Field

非平衡量子動力学

Academic Significance and Societal Importance of the Research Achievements

機械的圧縮によって吸収、発光、ゼロフォノン線の温度変化が異なるということは、空孔中心を効果的に制御する新たな方法を提供し、圧縮されたナノスケール材料における温度と圧力のナノスケール光学測定のための有望な単一光子源を提供し得る。