Doping-driven Mott transition in La_{1-x}Sr_xTiO_3 via simultaneous electron and hole doping of t2g subbands

Abstract

The insulator to metal transition in LaTiO_3 induced by La substitution via Sr is studied within multi-band exact diagonalization dynamical mean field theory at finite temperatures. It is shown that weak hole doping triggers a large interorbital charge transfer, with simultaneous electron and hole doping of t2g subbands. The transition is first-order and exhibits phase separation between insulator and metal. In the metallic phase, subband compressibilities become very large and have opposite signs. Electron doping gives rise to an interorbital charge flow in the same direction as hole doping. These results can be understood in terms of a strong orbital depolarization.

4 pages, 5 figures

References in corpus (20)

• First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory
• Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^1$ perovskites
• The Hubbard Model at Infinite Dimensions: Thermodynamic and Transport Properties
• How chemistry controls electron localization in 3d1 perovskites: A Wannier-function study
• Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
• Electronic Structure of Paramagnetic V_2O_3: Strongly Correlated Metallic and Mott Insulating Phase
• Orbital Dependent Phase Control in Ca2-xSrxRuO4
• Novel Mott Transitions in Non-Isotropic Two-Band Hubbard Model
• Determination of the orbital moment and crystal field splitting in LaTiO${}_3$
• Doping-driven Mott transition in the one-band Hubbard model
• Phase separation in the Hubbard model
• Calculation of photoemission spectra of the doped Mott insulator La_{1-x}Sr_xTiO_3 using LDA+DMFT(QMC)
• Exact Diagonalization Dynamical Mean Field Theory for Multi-Band Materials: Effect of Coulomb correlations on the Fermi surface of Na_0.3CoO_2
• Phase separation in the particle-hole asymmetric Hubbard model
• Photoemission Spectral Weight Transfer and Mass Renormalization in the Fermi-Liquid System La${}_{1-x}$Sr${}_x$TiO${}_{3+y/2}$
• Merging of single-particle levels and non-Fermi-liquid behavior of finite Fermi systems
• Mott transition in the Hubbard model away from particle-hole symmetry
• Non-Fermi-liquid phases in the two-band Hubbard model: Finite-temperature exact diagonalization study of Hund's rule coupling
• Critical behaviour near the metal-insulator transition of a doped Mott insulator
• Electronic state of a doped Mott-Hubbard insulator at finite temperatures studied using the dynamical mean-field theory

Cited by in corpus (11)

• Fermi-liquid, non-Fermi-liquid, and Mott phases in iron pnictides and cuprates
• Temperature and bath size in exact diagonalization dynamical mean field theory
• Metal-Insulator phase diagram and orbital selectivity in 3-orbital models with rotationally invariant Hund coupling
• Calculation of the Capacitances of Conductors -- Perspectives for the Optimization of Electronic Devices
• The Mott insulator LaTiO_3 in heterostructures with SrTiO_3 is metallic
• Multisite versus multiorbital Coulomb correlations studied within finite-temperature exact diagonalization dynamical mean-field theory
• Phase separation in doped Mott insulators
• The importance of electronic correlations in exploring the exotic phase diagram of layered Li${}_x$MnO${}_2$
• Surface effects in doping a Mott insulator
• Suppression of the charge fluctuations by nonlocal correlations close to the Mott transition
• Bad metal and negative compressibility transitions in a two-band Hubbard model