Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^{1}$ perovskites

Details Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^{1}$ perovskites Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^{1}$ perovskites

2003-09-04

arxiv.org/abs/cond-mat/0309102v3

PRL 92 176403 (2004)

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 3 figures; revised manuscript

Scientific paper

10.1103/PhysRevLett.92.176403

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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