Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic3d1Perovskites

2003/09/30 by Eva Pavarini, E. Pavarini, Silke Biermann +7 · 8 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Electronic and Structural Properties of Oxides #Magnetic and transport properties of perovskites and related materials #cond-mat.str-el

paper · pdf · doi:10.1103/physrevlett.92.176403

published as PRL 92 176403 (2004) · 4 pages, 3 figures; revised manuscript

arxiv created 2004/01/19 · openalex publication_date 2004/04/30 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

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.

Citations

• Orbital-Spin Structure and Lattice Coupling inRTiO3whereR=La,Pr,Nd, andSm

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