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 para...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.展开更多
文摘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.
