Ab initio band-structure calculations for alkaline-earth oxides and sulfides
Document Type
Article
Publication Date
1-1-1991
Abstract
The electronic structure of the oxides and sulfides of Mg, Ca, and Sr is computed with use of the self-consistent Hartree-Fock method including correlation. Energy-band structure and density of states are presented and discussed in context with the available experimental and theoretical studies. Our results predict that these materials (except MgS) are direct-band-gap materials. © 1991 The American Physical Society.
Publication Title
Physical Review B
Recommended Citation
Pandey, R.,
Jaffe, J.,
&
Kunz, A.
(1991).
Ab initio band-structure calculations for alkaline-earth oxides and sulfides.
Physical Review B,
43(11), 9228-9237.
http://doi.org/10.1103/PhysRevB.43.9228
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10014