Mott transition and suppression of orbital fluctuations in orthorhombic 3d¹ perovskites
classification
❄️ cond-mat.str-el
keywords
fluctuationsorbitalorthorhombictransitionagreementcationcorrelationcorrelations
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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 non-cubic systems. Good agreement with photoemission data is obtained. The interplay of correlation effects and cation covalency (GdFeO$_{3}$-type distortions) is found to suppress orbital fluctuations in LaTiO$_{3},$ and even more in YTiO$_{3}$, and to favor the transition to the insulating state.
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