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Electronic structure and relative stability of icosahedral Al-transition-metal clusters
X. Gong G.,
Published in
Volume: 50
Issue: 23
Pages: 17701 - 17704
The electronic structure and relative stability of icosahedral Al12M (M=transition metal) clusters have been studied using the density functional theory within the local spin density approximation. Our calculations predict large binding energies for clusters with M atom in the middle of a d series in agreement with the occurrence of Al12W phase in these alloys and provide an insight into the understanding of the stability of AlM quasicrystals. {\textcopyright} 1994 The American Physical Society.
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