Excitonic states in pure and impurity-doped magnesium oxide
Document Type
Article
Publication Date
1-1-1989
Abstract
Excitonic states in pure and anion-impurity-doped MgO are investigated in several well-defined models using unrestricted Hartree-Fock (UHF)/icecap (ionic crystal with electronic cluster, automatic program) simulation procedures. The calculated excitation energies in pure MgO are in excellent agreement with the experiment. The results for S2 - or Se2 - doped MgO show quite conclusively that the lattice response needs to be consistently incorporated with the defect electronic structure. © 1989 The American Physical Society.
Publication Title
Physical Review B
Recommended Citation
Pandey, R.,
Zuo, J.,
&
Kunz, A.
(1989).
Excitonic states in pure and impurity-doped magnesium oxide.
Physical Review B,
39(17), 12565-12567.
http://doi.org/10.1103/PhysRevB.39.12565
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10003