Subband filling and Mott transition in Ca2-xSrxRuO4
A. Liebsch, H. Ishida
Abstract
A new concept is proposed for the paramagnetic metal insulator transition in the layer perovskite Ca2-xSrxRuO4. Whereas the pure Sr compound is metallic up to very large Coulomb energies due to strong orbital fluctuations, structural changes induced by doping with Ca give rise to a interorbital charge transfer which makes the material extremely sensitive to local correlations. Using dynamical mean field theory based on finite temperature multi-band exact diagonalization it is shown that the combination of crystal field splitting and onsite Coulomb interactions leads to complete filling of the dxy band and to a Mott transition in the half-filled dxz,yz bands.
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