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

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

Access to Document

10.1016/0022-4596(86)90090-3

Fingerprint Dive into the research topics of 'The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals'. Together they form a unique fingerprint.

Cite this

Garfunkel, E. L., & Minot, C. (1986). The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals. Journal of Solid State Chemistry, 65(1), 72-78. https://doi.org/10.1016/0022-4596(86)90090-3

@article{77da202c61bd42f4b5acd2d3f054129f,

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.",

author = "Garfunkel, {E. L.} and C. Minot",

year = "1986",

month = nov,

day = "1",

doi = "10.1016/0022-4596(86)90090-3",

language = "English",

volume = "65",

pages = "72--78",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

number = "1",

}

TY - JOUR

T1 - The role of p orbitals in determining the interatomic distance and the electronic band structure in alkali metal crystals

AU - Garfunkel, E. L.

AU - Minot, C.

PY - 1986/11/1

Y1 - 1986/11/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0022810219&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0022810219&partnerID=8YFLogxK

U2 - 10.1016/0022-4596(86)90090-3

DO - 10.1016/0022-4596(86)90090-3

M3 - Article

AN - SCOPUS:0022810219

VL - 65

SP - 72

EP - 78

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

SN - 0022-4596

IS - 1

ER -