Magnetic properties of the Hubbard model on three-dimensional lattices: fluctuation-exchange and two-particle self-consistent studies

Abstract

The relation between three-dimensional lattice structure and magnetism in correlated electron systems is explored for face centered cubic (FCC), body centered cubic (BCC), and simple cubic (SC) lattices. In particular, we question which lattice structure has the strongest tendency toward the ferromagnetism or antiferromagnetism. We employ the Hubbard model to calculate the spin susceptibility and the single-particle spectrum with the fluctuation-exchange (FLEX) and the two-particle self-consistent (TPSC) approximations in the weak coupling regime. We have shown that (i) ferromagnetic spin fluctuations become dominant when the Fermi level lies around a sharp peak (divergence) in the density of states (D(E)) near the bottom of the band, which occurs for FCC with/without next nearest neighbor hoppings (t') or BCC with an appropriate value of t'. Among the cases studied, the ferromagnetic fluctuation is found to be the strongest for FCC with a finite t'. (ii) When the peak in D(E) resides around the band center as in bipartite SC or BCC, antiferromagnetic fluctuations become dominant when the band is close to the half-filling, with the fluctuation being much stronger in BCC.