The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals

E. L. Garfunkel; C. Minot

doi:10.1016/0022-4596(86)90090-3

The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals

E. L. Garfunkel, C. Minot

Rutgers University

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

Extended Hückel tight binding (EH-TB) calculations are shown to give a satisfactory description of alkali crystals. It is found that maximization of the valence p orbital overlap is a significant factor in determining the large interatomic separation.

Original language	English
Pages (from-to)	72-78
Number of pages	7
Journal	Journal of Solid State Chemistry
Volume	65
Issue number	1
DOIs	https://doi.org/10.1016/0022-4596(86)90090-3
Publication status	Published - Nov 1 1986

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/0022-4596(86)90090-3

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abstract = "Extended H{\"u}ckel tight binding (EH-TB) calculations are shown to give a satisfactory description of alkali crystals. It is found that maximization of the valence p orbital overlap is a significant factor in determining the large interatomic separation.",

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