Mott transition, magnetic and orbital orders in the ground state of the two-band Hubbard model using variational slave-spin mean field formalism

Abstract

We study the ground state phase diagram of the degenerate two-band Hubbard model at integer fillings as a function of onsite Hubbard interactionUand Hund's exchange couplingJ. We use a variational slave-spin mean field method which allows symmetry broken states to be studied within the computationally less intensive slave-spin mean field formalism. The results show that at half-filling, the ground state at smallerUis a Slater antiferromagnet with substantial local charge fluctuations. AsUis increased, the antiferromagnetic (AF) state develops a Heisenberg behavior, finally undergoing a first-order transition to a Mott insulating AF state at a critical interactionU_cwhich is of the order of the bandwidth. Introducing the Hund's couplingJcorrelates the system more and reducesU_cdrastically. At quarter-filling with one electron per site, the ground state at smallerUis paramagnetic metallic. At finiteJ, as interaction is increased beyond a lower critical valueU_c1, it goes to a fully spin polarized ferromagnetic state coexisting with an antiferro-orbital order. Further increase inUbeyond a higher critical valueU_c2results in the Mott insulating state where local charge fluctuation vanishes.

Keywords: Mott transition; ferromagnetism; two-band Hubbard model; variational slave-spin mean field theory.