Orbital Physics in the Perovskite Ti Oxides

TL;DR

This review explores the orbital and spin phases in perovskite Ti oxides, emphasizing the mechanisms behind magnetic ordering, orbital states, and the applicability of the single-band Hubbard model to these Mott insulators.

Contribution

It provides a comprehensive analysis of orbital physics in titanates, highlighting the role of Ti t2g degeneracy and supporting the single-band Hubbard model as a fundamental framework.

Findings

Ti t2g degeneracy is inherently lifted in titanates.

Single-band Hubbard model effectively describes ground states.

Reanalysis of hole-doped titanates in the context of Mott physics.

Abstract

In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of orbital-spin states of these Mott insulators have been intensively studied. In this article, we review the studies on orbital physics in the perovskite titanates. We focus on the following three topics: (1) the origin and nature of the ferromagnetism as well as the orbital ordering in the compounds with relatively small R ions such as GdTiO3 and YTiO3, (2) the origin of the G-type antiferromagnetism and the orbital state in LaTiO3, and (3) the orbital-spin structures in other AFM(G) compounds with relatively large R ions (R=Ce, Pr, Nd and Sm). On the basis of these discussions, we discuss the whole phase diagram together with mechanisms of the magnetic phase transition. We also show that the Ti t2g degeneracy is inherently lifted in the titanates, which allows the single-band descriptions of the ground-state and low-energy electronic structures as a good starting point. Our analyses indicate that these compounds offer touchstone materials described by the single-band Hubbard model on the cubic lattice. From this insight, we also reanalyze the hole-doped titanates. Experimentally revealed filling-dependent and bandwidth-dependent properties and the critical behavior of the metal-insulator transitions are discussed in the light of theories based on the single-band Hubbard models.