Geometry, electronic structure, and magnetism of clusters
作者： Houqian Sun , Yun Ren , You-Hua Luo , Guanghou Wang
DOI: 10.1016/S0921-4526(00)00526-3
关键词: Magnetic moment 、 Cluster (physics) 、 Magnetism 、 Tight binding 、 Electronic density 、 Physics 、 Charge density 、 Hamiltonian (quantum mechanics) 、 Geometry 、 Electronic structure
摘要: Abstract Using an empirical many-body potential and Genetic Algorithm, the geometry of Rh n ( n=9, 13, 15, 17, 19 ) clusters has been optimized. Based on optimization geometry, ground-state magnetic properties related electronic rhodium are calculated by using a spd-band model Hamiltonian in unrestricted Hartree–Fock approximation. Results given for average moment per atom μ , spin-polarized charge distribution within cluster, sp d density state. The good agreement with experiments.
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