Towards Mott design by $\delta$-doping of strongly correlated titanates

Abstract

Doping the distorted-perovskite Mott insulators LaTiO${}_3$ and GdTiO${}_3$ with a single SrO layer along the [001] direction gives rise to a rich correlated electronic structure. A realistic superlattice study by means of the charge self-consistent combination of density functional theory with dynamical mean-field theory reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. An orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO${}_2$ layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in $\delta$-doped GdTiO${}_3$ results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers which are coupled antiferromagnetically.

arXiv comment17 pages, 9 figures, final version

References in corpus (30)

• A continuous-time solver for quantum impurity models
• Continuous Time Quantum Monte Carlo method for fermions
• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^1$ perovskites
• Site-selective Mott transition in rare earth nickelates
• Full orbital calculation scheme for materials with strongly correlated electrons
• Emergent properties hidden in plane view: Strong electronic correlations at oxide interfaces
• Orbital liquid in three dimensional Mott insulator: $LaTi{O}_3$
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• How chemistry controls electron localization in 3d1 perovskites: A Wannier-function study
• Orthogonal Polynomial Representation of Imaginary-Time Green's Functions
• Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
• Spin Dynamics and Orbital State in LaTiO_3
• Nonlinear Hall effect and multichannel conduction in LaTiO3/SrTiO3 superlattices
• Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
• Oxide Heterostructures for Efficient Solar Cells
• Magnetoelastic coupling in RETiO3 (RE = La, Nd, Sm, Gd, Y)
• Covalency in transition metal oxides within all-electron Dynamical Mean Field Theory
• Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
• The role of non-local exchange in the electronic structure of correlated oxides
• Interface-induced magnetism in perovskite quantum wells
• Lattice Distortion and Magnetic Ground State of YTiO${}_3$ and LaTiO${}_3$
• Enhanced persistent photoconductivity in $\delta$-doped LaAlO${}_3$/SrTiO${}_3$ heterostructures
• Dimer Mott Insulator in an Oxide Heterostructure
• Covalency and the metal-insulator transition in titanate and vanadate perovskites
• Fractionally delta-doped oxide superlattices for higher carrier mobilities
• Correlation between metal-insulator transitions and structural distortions in high-electron-density SrTiO3 quantum wells
• Origin of G-type Antiferromagnetism and Orbital-Spin Structures in ${\mathrm{LaTiO}}_3$
• High-density two-dimensional small polaron gas in a delta-doped Mott insulator
• Formation of orbital-selective electron states in LaTiO${}_3$/SrTiO${}_3$ superlattices

Cited by in corpus (10)

• Thermoelectricity in correlated narrow-gap semiconductors
• Realistic theory of electronic correlations in nanoscopic systems
• Separation of transport lifetimes in SrTiO3-based two-dimensional electron liquids
• Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO${}_2$
• Hidden Mott insulator in metallic PdCrO${}_2$
• Realistic many-body approaches to materials with strong nonlocal correlations
• Finite-temperature phase diagram of (111) nickelate bilayers
• Many-body effects on Cr(001) surfaces: An LDA+DMFT study
• Spatial inhomogeneity and the metal-insulator transition in Ca${}_3$(Ru${}_{1-x}$Ti${}_x$)${}_2$O${}_7$
• Oxide Heterostructures from a Realistic Many-Body Perspective