Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic3d1Perovskites

著者: Eva Pavarini, Silke Biermann, A. I. Poteryaev, A. I. Lichtenstein, Antoine Georges, O. K. Andersen - Physical Review Letters 2004 被引用: 458

Using t(2g) Wannier functions, a low-energy Hamiltonian is derived for orthorhombic 3d(1) transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for noncubic systems. Good agreement with photoemission data is obtained. The interplay of correlation effects and cation covalency (GdFeO3-type distortions) is found to suppress orbital fluctuations in LaTiO3 and even more in YTiO3, and to favor the transition to the insulating state.