Title
Correlated hartree-fock electronic structure of ZnO and ZnS
Document Type
Article
Publication Date
1-1-1991
Abstract
The band structures of ZnO and ZnS have been calculated by an all-electron Hartree-Fock method including correlation corrections. The goal is to evaluate the applicability to polar semiconductors of this highly efficient computational method, which was originally designed for closed-shell ionic systems, and to study the role of Zn 3d-band states in the electronic and optical properties of these materials. Comparison is made to the results of other calculations and to optical and photoemission data. © 1991.
Publication Title
Journal of Physics and Chemistry of Solids
Recommended Citation
Jaffe, J.,
Pandey, R.,
&
Kunz, A.
(1991).
Correlated hartree-fock electronic structure of ZnO and ZnS.
Journal of Physics and Chemistry of Solids,
52(6), 755-760.
http://doi.org/10.1016/0022-3697(91)90073-9
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/5362