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Physics of Charged Mgn (n≤7) and Mixed MgnKy (x+y≤4) Clusters

Published online by Cambridge University Press:  28 February 2011

S. N. Khanna ,
F. Reuse ,
V. de Coulon  and
J. Buttet
S. N. Khanna
Affiliation:
Physics Department, VCU, Richmond, Virginia 23284–2000
F. Reuse
Affiliation:
IPE, EPFL, Switzerland
V. de Coulon
Affiliation:
IPE, EPFL, Switzerland
J. Buttet
Affiliation:
IPE, EPFL, Switzerland
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Abstract

Electronic structure calculations on neutral and charged Mgn (n≤7) clusters and KnMgm mixed clusters have been carried out within a linear combination of atomic orbitals molecular orbital approach. The exchange correlaton effects have been treated via local spin density functional and non-local pseudopotentials have been used to replace the core. Our studies on charged Mgn clusters focus on the electron affinity and atomic binding in anionic clusters and the stability and observability of doubly ionized clusters. In KnMgm clusters, we have considered the evolution of the electronic spectrum and the variation of the binding energy with size and composition.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 206: Symposium G – Clusters and Cluster-Assembled Materials , 1990 , 27
Copyright
Copyright © Materials Research Society 1991

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References

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