Abstract

We use a multiband Hubbard model with intra-atomic Coulomb and exchange interactions for a microscopic description of the magnetic and nonmagnetic properties of fcc iron. High- and low-spin states are calculated by using a simplified version of the fixed-spin-moment (FSM) method of Moruzzi et al., Phys. Rev. B 34 (1986) 1784. We find that the wave-vector dependent spin susceptibility of the high-spin state differs remarkably from the susceptibility of the low-spin state.

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