Crystals from metallic clusters: A first-principles calculation

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1993
Major/Subject
Mcode
Degree programme
Language
en
Pages
1981-1983
Series
Physical Review B, Volume 48, Issue 3
Abstract
The interactions of the ‘‘magic’’ Al12Si clusters are studied by first-principles electron-structure calculations. It is shown that clusters arranged into the fcc lattice do not conserve their separated-cluster icosahedral structure but coalesce to form a close-packed metal.
Description
Keywords
Al12Si clusters, structures, first-principles electron-structure calculations
Other note
Citation
Seitsonen, A. P. & Puska, M. J. & Alatalo, M. & Nieminen, Risto M. & Milman, V. & Payne, M. C. 1993. Crystals from metallic clusters: A first-principles calculation. Physical Review B. Volume 48, Issue 3. 1981-1983. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.48.1981.