Interplay of the atomic and electronic structure in liquid and amorphous metals and alloys

J. Hafner, M. Tegze, W. Jank

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We present ab initio calculations of the atomic and the electronic structures of liquid and amorphous metals and alloys, based on pseudopotential calculations of the interatomic forces, molecular dynamics computer experiments for the atomic structure and self-consistent linearized muffin tin orbital supercell calculations for the electronic structure. Results are presented for liquid germanium, for metallic glasses (MgZn, CaMg, CaAl) and for alloys forming compounds in the liquid state (alkali-lead alloys) .

Original languageEnglish
Pages (from-to)531-545
Number of pages15
JournalJournal of the Less-Common Metals
Volume145
Issue numberC
DOIs
Publication statusPublished - Dec 15 1988

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Crystal atomic structure
Electronic structure
Metals
Liquids
Germanium
Lead alloys
Orbital calculations
Tin
Metallic glass
Alkalies
Molecular dynamics
Experiments

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Interplay of the atomic and electronic structure in liquid and amorphous metals and alloys. / Hafner, J.; Tegze, M.; Jank, W.

In: Journal of the Less-Common Metals, Vol. 145, No. C, 15.12.1988, p. 531-545.

Research output: Contribution to journalArticle

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