First-principles ionicity scales. I. Charge asymmetry in the solid state

Alberto García; Marvin L. Cohen

doi:10.1103/PhysRevB.47.4215

First-principles ionicity scales. I. Charge asymmetry in the solid state

Alberto García and Marvin L. Cohen

Phys. Rev. B 47, 4215 – Published 15 February 1993

Abstract

Using a measure of the asymmetry of the valence charge distribution in $A^{N}$ $B^{8 - N}$ compounds, a mapping to Phillips’s ionicity scale is achieved.

Received 28 September 1992

DOI:https://doi.org/10.1103/PhysRevB.47.4215

Authors & Affiliations

Alberto García and Marvin L. Cohen

Department of Physics, University of California, Berkeley, California 94720
Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

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Vol. 47, Iss. 8 — 15 February 1993

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Physical Review B

covering condensed matter and materials physics

First-principles ionicity scales. I. Charge asymmetry in the solid state

Alberto García and Marvin L. Cohen

Phys. Rev. B 47, 4215 – Published 15 February 1993

Abstract

Authors & Affiliations

References (Subscription Required)

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Physical Review B

covering condensed matter and materials physics

First-principles ionicity scales. I. Charge asymmetry in the solid state

Alberto García and Marvin L. Cohen

Phys. Rev. B 47, 4215 – Published 15 February 1993

Abstract

Authors & Affiliations

References (Subscription Required)

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