Quasiparticle self-consistent GW band structures of Mg-IV-N2 compounds: The role of semicore d states
Sign Up to like & getrecommendations! Published in 2019 at "Solid State Communications"
DOI: 10.1016/j.ssc.2019.113664
Abstract: Abstract We present improved band structure calculations of the Mg-IV-N2 compounds in the quasiparticle self-consistent GW approximation. Compared to previous calculations (Phys. Rev. B 94, 125201 (2016)) we here include the effects of the Ge-3d… read more here.
Keywords: semicore states; self consistent; band; quasiparticle self ... See more keywords
Finite electric-field approach to evaluate the vertex correction for the screened Coulomb interaction in the quasiparticle self-consistent GW method
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.205120
Abstract: We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of… read more here.
Keywords: vertex correction; consistent method; electric field; quasiparticle self ... See more keywords