Crystals from metallic clusters: A first-principles calculation

Loading...
Thumbnail Image

Access rights

© 1993 American Physical Society (APS). This is the accepted version of the following article: 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, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.48.1981.

URL

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.