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Investigation of on-site interorbital single-electron hoppings in general multiorbital systems

2012; American Physical Society; Volume: 86; Issue: 3 Linguagem: Inglês

10.1103/physrevb.86.035107

1550-235X

Qingguo Feng, P. M. Oppeneer,

Organic and Molecular Conductors Research

A general multi-orbital Hubbard model, which includes on-site inter-orbital electron hoppings, is introduced and studied. It is shown that the on-site inter-orbital single electron hopping is one of the most basic interactions. Two electron spin-flip and pair-hoppings are shown to be correlation effects of higher order than the on-site inter-orbital single hopping. It is shown how the double and higher hopping interactions can be well-defined for arbitrary systems. The two-orbital Hubbard model is studied numerically to demonstrate the influence of the single electron hopping effect, leading to a change of the shape of the bands and a shrinking of the difference between the two bands. Inclusion of the on-site inter-orbital hopping suppresses the so-called orbital-selective Mott transition.