First-principles ionicity scales. I. Charge asymmetry in the solid state
- 15 February 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 47 (8) , 4215-4220
- https://doi.org/10.1103/physrevb.47.4215
Abstract
Using a measure of the asymmetry of the valence charge distribution in compounds, a mapping to Phillips’s ionicity scale is achieved.
Keywords
This publication has 23 references indexed in Scilit:
- Efficient pseudopotentials for plane-wave calculationsPhysical Review B, 1991
- A straightforward method for generating soft transferable pseudopotentialsSolid State Communications, 1990
- Electronic Structure and Optical Properties of SemiconductorsPublished by Springer Nature ,1989
- Bonding and ionicity in semiconductorsPhysical Review B, 1987
- Norm-Conserving PseudopotentialsPhysical Review Letters, 1979
- Electronic Charge Densities in SemiconductorsPhysical Review Letters, 1971
- Ionicity of the Chemical Bond in CrystalsReviews of Modern Physics, 1970
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964
- The electronic properties of tetrahedral intermetallic compounds I. Charge distributionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1962