摘要
We calculate the magnetic properties of small Fe N clusters( N =2～7,9,13,15) by using a parameterized Hubbard tight binding spd band model Hamiltonian, with the parameters obtained from nonorthogonal Hamiltonian parameters. the average magnetic moments, and the spin polarized charge distribution within clusters are in agreement with those obtained by first principle and tight binding calculations. The effect of the nonorthogonal basis is discussed.
We calculate the magnetic properties of small Fe N clusters( N =2～7,9,13,15) by using a parameterized Hubbard tight binding spd band model Hamiltonian, with the parameters obtained from nonorthogonal Hamiltonian parameters. the average magnetic moments, and the spin polarized charge distribution within clusters are in agreement with those obtained by first principle and tight binding calculations. The effect of the nonorthogonal basis is discussed.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2000年第4期583-588,共6页
Journal of Atomic and Molecular Physics
