English
Excitons store photon energy and can carry valley momentum and spin. In twisted two-dimensional semiconductors, moiré excitons acquire quantum-dot-like properties that offer a platform for single-photon emission and quantum optics. We combine optimally tuned screened range-separated hybrid functionals with linear-response time-dependent density functional theory (LR-TDDFT) to describe their charge density and binding energy at atomic resolution. We also investigate electric fields and defects as handles for tuning optical response and dynamics.
Relevant publications include Science Advances 6, eabc5638 (2020) and PNAS 118, e2105468118 (2021).
中文
激子能够存储光子能量，并携带谷动量和自旋等信息。在转角二维半导体中，莫尔激子呈现类似量子点的新颖性质，为单光子发射和量子光学提供平台。课题组将分区杂化泛函与线性响应含时密度泛函理论（LR-TDDFT）结合，获得其原子分辨的空间电荷密度和结合能，并研究电场、缺陷等对其光学及动力学性质的调控。