Dynamical mean field theory for oxide heterostructures

TL;DR

This paper reviews the application of dynamical mean field theory (DMFT) to oxide heterostructures, discussing when it is necessary, not sufficient, or unnecessary, with detailed examples and focus on specific transition metal oxides.

Contribution

It provides a comprehensive review of DFT+DMFT methods applied to oxide heterostructures, highlighting their strengths, limitations, and specific case studies.

Findings

DMFT is essential for strongly correlated oxides

DFT+DMFT effectively models titanates, nickelates, vanadates, and ruthenates

Limitations of DMFT in certain physical regimes

Abstract

Transition metal oxide heterostructures often, but by far not always, exhibit strong electronic correlations. State-of-the-art calculations account for these by dynamical mean field theory (DMFT). We discuss the physical situations in which DMFT is needed, not needed, and where it is actually not sufficient. By means of an example, SrVO$_3$/SrTiO$_3$, we discuss step-by-step and figure-by-figure a density functional theory(DFT)+DMFT calculation. The second part reviews DFT+DMFT calculations for oxide heterostructure focusing on titanates, nickelates, vanadates, and ruthenates.