Optical properties and quasiparticle energies in the two-layered hydrogenated gallium nitrate nanosheet: A DFT study
Sign Up to like & getrecommendations! Published in 2019 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2019.01.025
Abstract: Abstract In this work, the electronic structure and optical properties of two-layered hydrogenated GaN were investigated. The results were obtained via first principle calculations based on density functional theory (DFT) using GW approximation and two… read more here.
Keywords: layered hydrogenated; two layered; optical properties; quasiparticle energies ... See more keywords
Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.102.205113
Abstract: The authors develop an efficient and accurate interpolation technique for the matrix elements of dielectric matrices in the entire $\mathbf{q}$ + $\mathbf{G}$ reciprocal space between material and substrate.The method makes possible quasiparticle energy calculations within… read more here.
Keywords: quasiparticle; quasiparticle energies; screening approach; substrate screening ... See more keywords