Mott transition and suppression of orbital fluctuations in orthorhombic 3d1 perovskites.
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.
Pavarini
E
E
INFM and Dipartimento di Fisica A. Volta, Università di Pavia, Via Bassi 6, I-27100 Pavia, Italy.
Biermann
S
S
Poteryaev
A
A
Lichtenstein
A I
AI
Georges
A
A
Andersen
O K
OK