| Literature DB >> 15169176 |
E Pavarini1, S Biermann, A Poteryaev, A I Lichtenstein, A Georges, O K Andersen.
Abstract
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.Entities:
Year: 2004 PMID: 15169176 DOI: 10.1103/PhysRevLett.92.176403
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161