Mott transition and suppression of orbital fluctuations in orthorhombic 3d(1) perovskites
SourcePhysical Review Letters, 92, 17, (2004), pp. 176403
Article / Letter to editor
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Theory of Condensed Matter
Physical Review Letters
SubjectTheory of Condensed Matter
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.
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