Charge transfer across transition metal oxide interfaces: emergent conductance and new electronic structure

Abstract

We perform density functional theory plus dynamical mean field theory calculations to investi- gate internal charge transfer in an artificial superlattice composed of alternating layers of vanadate and manganite perovskite and Ruddlesden-Popper structure materials. We show that the elec- tronegativity difference between vanadium and manganese causes moderate charge transfer from VO2 to MnO2 layers in both perovskite and Ruddlesden-Popper based superlattices, leading to hole doping of the VO2 layer and electron doping of the MnO2 layer. Comparison of the perovskite and Ruddlesden-Popper based heterostructures provides insights into the role of the apical oxy- gen. Our first principles simulations demonstrate that the combination of internal charge transfer and quantum confinement provided by heterostructuring is a powerful approach to engineering electronic structure and tailoring correlation effects in transition metal oxides.

10 figures and 3 tables

References in corpus (9)

• Magnetic effects at the interface between nonmagnetic oxides
• Continuous-time Monte Carlo methods for quantum impurity models
• Electric Field Control of the LaAlO${}_3$/SrTiO${}_3$ Interface Ground State
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
• Momentum space anisotropy and pseudogaps: a comparative cluster dynamical mean field analysis of the doping-driven metal-insulator transition in the two dimensional Hubbard model
• Electronic reconstruction at SrMnO3-LaMnO3 superlattice interfaces
• Electronic reconstruction at the isopolar LaTiO3/LaFeO3 interface: An x-ray photoemission and density functional theory study

Cited by in corpus (3)

• Band alignment and charge transfer in complex oxide interfaces
• Charge transfer driven emergent phenomena in oxide heterostructures
• Emergent topological states via digital (001) oxide superlattices