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

Eric Garfunkel, C. Minot

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)72-78
Number of pages7
JournalJournal of Solid State Chemistry
Volume65
Issue number1
DOIs
Publication statusPublished - Nov 1 1986

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Alkali Metals
metal crystals
Alkalies
Alkali metals
Band structure
alkali metals
alkalies
valence
orbitals
Crystals
electronics
crystals

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

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