Linearized augmented plane wave electronic structure calculations for MgO and CaO
Publication
, Journal Article
Mehl, MJ; Cohen, RE; Krakauer, H
Published in: Journal of Geophysical Research
January 1, 1988
We present full-potential self-consistent linearized augmented plane wave calculations for the electronic structure and total energy of MgO and CaO, within the local density approximation. Calculated equilibrium properties are in good agreement with experiment. We also consider the transition from the low-pressure sodium chloride (B1) structure to the high-pressure cesium chloride (B2) structure for MgO and CaO and the transition to the NiAs (B8) structures for MgO. -from Authors
Duke Scholars
Published In
Journal of Geophysical Research
DOI
ISSN
0148-0227
Publication Date
January 1, 1988
Volume
93
Issue
B7
Start / End Page
8009 / 8022
Related Subject Headings
- Meteorology & Atmospheric Sciences
Citation
APA
Chicago
ICMJE
MLA
NLM
Mehl, M. J., Cohen, R. E., & Krakauer, H. (1988). Linearized augmented plane wave electronic structure calculations for MgO and CaO. Journal of Geophysical Research, 93(B7), 8009–8022. https://doi.org/10.1029/JB093iB07p08009
Mehl, M. J., R. E. Cohen, and H. Krakauer. “Linearized augmented plane wave electronic structure calculations for MgO and CaO.” Journal of Geophysical Research 93, no. B7 (January 1, 1988): 8009–22. https://doi.org/10.1029/JB093iB07p08009.
Mehl MJ, Cohen RE, Krakauer H. Linearized augmented plane wave electronic structure calculations for MgO and CaO. Journal of Geophysical Research. 1988 Jan 1;93(B7):8009–22.
Mehl, M. J., et al. “Linearized augmented plane wave electronic structure calculations for MgO and CaO.” Journal of Geophysical Research, vol. 93, no. B7, Jan. 1988, pp. 8009–22. Scopus, doi:10.1029/JB093iB07p08009.
Mehl MJ, Cohen RE, Krakauer H. Linearized augmented plane wave electronic structure calculations for MgO and CaO. Journal of Geophysical Research. 1988 Jan 1;93(B7):8009–8022.
Published In
Journal of Geophysical Research
DOI
ISSN
0148-0227
Publication Date
January 1, 1988
Volume
93
Issue
B7
Start / End Page
8009 / 8022
Related Subject Headings
- Meteorology & Atmospheric Sciences