Crystals from metallic clusters: A first-principles calculation

descriptionPublicationkeyboard_double_arrow_right Article 15 Jul 1993 Finland English Publisher:American Physical Society (APS)Journal:Physical Review B, volume 48, pages 1,981-1,983 (issn: 0163-1829, eissn: 1095-3795,

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Authors: Seitsonen, A. P.; Puska, M. J.; Alatalo, M.; Nieminen, R. M.; Milman, V.; Payne, M. C.;

doi: 10.1103/physrevb.48.1981

pmid: 10008578

Crystals from metallic clusters: A first-principles calculation

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Abstract

The interactions of the ``magic'' ${\mathrm{Al}}_{12}$Si 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.

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Finland

Related Organizations

Aalto University
Finland
Helsinki University of Technology
Finland
University of Helsinki
Finland

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