To capture excitonic results within a linear-response TDDFT framework requires using change–correlation kernels with a correct lengthy-range behavior, which may be effectively modeled with a category of so-known as lengthy-vary corrected xc kernels. While attractive from a computational standpoint, these xc kernels have their limitations and require even handed use. We evaluation the pros and cons of various xc kernels within the literature, and discuss an empirical scaling strategy to obtain correct exciton binding energies with TDDFT. We also discuss generalized TDDFT approaches for excitons using hybrid functionals. The large contact resistance is an insurmountable downside for the Schottky contact between the semiconducting two-dimensional channel materials and the metallic electrode. One answer to the Schottky contact issue is to decrease the contact resistance. Moreover, in the double-layer structure, the Cl adatoms can hop from one layer to the other by making use of a vertical electrical field.
Their interlayer translation …