Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here, a comprehensive density functional theory-based investigation of seven kinds of poin
Within the framework of many-body perturbation theory integrated with density functional theory (DFT), a novel defect-subspace projection GW method, the so-called p-GW, is proposed. By avoiding the pe
Dataset for associated publication. Abstract: Point defect identification in two-dimensional materials enables an understanding of the local environment within a given system, where scanning probe
