论文标题
VNCB缺陷作为六角硼的单光子发射来源
VNCB defect as source of single photon emission from hexagonal boron nitride
论文作者
论文摘要
2D六角硼（HBN）中的单个光子发射器由于其高度强，稳定且可应变的发射而引起了很大的关注。但是，这种发射的确切来源，特别是所涉及的晶体缺陷的详细原子结构，仍然未知。在这项工作中，我们介绍了自旋三旋转（2）（_^3）b_1至（1）（_^3）b_1 hbn中VNCB点缺陷的过渡。基于与关键光谱量的实验的良好一致性，例如发射频率和极化，光致发光（PL）线形状，Huang-Rhys因子，Debye-Waller因子和重组能量，我们最终将观察到的单个光子发射分配给VNCB缺陷，在〜2EV时分配了观察到的单个光子发射。因此，我们的工作解决了关于HBN单光子发射源的确切化学性质的长期争论，并建立了控制和应用此类光子进行量子技术应用所必需的微观理解。
Single photon emitters in 2D hexagonal boron nitride (hBN) have attracted a considerable attention because of their highly intense, stable, and strain-tunable emission. However, the precise source of this emission, in particular the detailed atomistic structure of the involved crystal defect, remains unknown. In this work, we present first-principles calculations of the vibrationally resolved optical fingerprint of the spin-triplet (2)(_^3)B_1 to (1)(_^3)B_1 transition of the VNCB point defect in hBN. Based on the excellent agreement with experiments for key spectroscopic quantities such as the emission frequency and polarization, the photoluminescence (PL) line shape, Huang-Rhys factor, Debye-Waller factor, and re-organization energy, we conclusively assign the observed single photon emission at ~2eV to the VNCB defect. Our work thereby resolves a long-standing debate about the exact chemical nature of the source of single photon emission from hBN and establishes the microscopic understanding necessary for controlling and applying such photons for quantum technological applications.
