Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.1424058
Title: Quasiparticle band structures of wurtzite and rock-salt ZnO
Authors: Ni, H.Q.
Lu, Y.F. 
Ren, Z.M.
Issue Date: 1-Feb-2002
Source: Ni, H.Q., Lu, Y.F., Ren, Z.M. (2002-02-01). Quasiparticle band structures of wurtzite and rock-salt ZnO. Journal of Applied Physics 91 (3) : 1339-1343. ScholarBank@NUS Repository. https://doi.org/10.1063/1.1424058
Abstract: Band structures of both wurtzite and rock-salt ZnO were investigated using the ab initio pseudopotential method with both local density approximation (LDA) and GW approximation. The error in approximating 3d electrons as core electrons was investigated for both LDA and quasiparticle calculations. The differences between the band structures obtained by the GW approximation and LDA were explained. The quasiparticle band structures were compared with experimental results. The spin-orbit splitting was calculated for both wurtzite and rock-salt ZnO with the LDA. The density of states was investigated with the GW approximation. © 2002 American Institute of Physics.
Source Title: Journal of Applied Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/57178
ISSN: 00218979
DOI: 10.1063/1.1424058
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