论文标题
将六角硼的发光中心的实验与北极子模型和降低方法结合起来，以鉴定其显微镜。
Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin
论文作者
论文摘要
二维材料六角硼氮化硼（HBN）的发光中心具有2 eV的发射能，显示出明显的声子侧带。我们通过将缩写计算与非扰动开放量子系统理论结合起来研究这些发光中心的显微镜起源，以研究26个缺陷转变的发射和吸收特性。将计算出的线形状与实验进行比较，我们将显微镜起源缩小到三个基于碳的缺陷：$ \ MATHRM {C_2C_B} $，$ \ MATHRM {C_2C_N} $和$ \ MATHRM {V_NC_B} $。开发的理论方法使我们能够计算所谓的光致发光激发（PLE）地图，这与我们的实验非常一致。后者解决了高阶的声子跃迁，从而证实了具有声子能量170 MEV的光学转变的振动结构和声子辅助激发机制。我们认为，提出的实验和基于极极的方法准确地描述了HBN中的发光中心，并将有助于鉴定其显微镜。
The two-dimensional material hexagonal boron nitride (hBN) hosts luminescent centres with emission energies of 2 eV which exhibit pronounced phonon sidebands. We investigate the microscopic origin of these luminescent centres by combining ab initio calculations with non-perturbative open quantum system theory to study the emission and absorption properties of 26 defect transitions. Comparing the calculated line shapes with experiments we narrow down the microscopic origin to three carbon-based defects: $\mathrm{C_2C_B}$, $\mathrm{C_2C_N}$, and $\mathrm{V_NC_B}$. The theoretical method developed enables us to calculate so-called photoluminescence excitation (PLE) maps, which show excellent agreement with our experiments. The latter resolves higher-order phonon transitions, thereby confirming both the vibronic structure of the optical transition and the phonon-assisted excitation mechanism with a phonon energy 170 meV. We believe that the presented experiments and polaron-based method accurately describe luminescent centres in hBN and will help to identify their microscopic origin.
