Correlated Hartree-Fock Electronic Structure of ZnO and ZnS

Authors

J. E. Jaffe, Michigan Technological University
Ravindra Pandey, Michigan Technological UniversityFollow
A. B. Kunz, Michigan Technological University

Document Type

Article

Publication Date

1991

Department

Department of Physics

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.

Publisher's Statement

© 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