Abstract
The electronic structure and relative stability of icosahedral M (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 W phase in these alloys and provide an insight into the understanding of the stability of AlM quasicrystals.
- Received 9 May 1994
DOI:https://doi.org/10.1103/PhysRevB.50.17701
©1994 American Physical Society