[HTML][HTML] Efficient and accurate defect level modeling in monolayer MoS2 via GW+ DFT with open boundary conditions
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 …
theory (DFT), a novel defect-subspace projection GW method, the so-called p-GW, is …
Ab initio quantum transport simulations of defective devices based on 2-D materials via a projected-GW approach
We propose a novel ab inito defect modeling framework for devices based on two-
dimensional (2-D) transition-metal dichalcogenide (TMDC) monolayers. The so-called …
dimensional (2-D) transition-metal dichalcogenide (TMDC) monolayers. The so-called …