Oxide Heterostructures from a Realistic Many-Body Perspective

Abstract

Oxide heterostructures are a new class of materials by design, that open the possibility for engineering challenging electronic properties, in particular correlation effects beyond an effective single-particle description. This short review tries to highlight some of the demanding aspects and questions, motivated by the goal to describe the encountered physics from first principles. The state-of-the-art methodology to approach realistic many-body effects in strongly correlated oxides, the combination of density functional theory with dynamical mean-field theory, will be briefly introduced. Discussed examples deal with prominent Mott-band-and bandband-insulating type of oxide heterostructures, where different electronic characteristics may be stabilized within a single architectured oxide material.

Anisotropy of electronic correlations: On the applicability of local theories to layered materials

“…However, we found static non-local renormalizations (beyond DMFT) to be non-negligible also for cubic systems-motivating the above approaches to in-clude a Σ static (k) (beyond DFT). Yet, most importantly, our findings strongly suggest that geometric constraints in (simulations of) oxide-based heterostructures [97][98][99] or ultra-thin films 12,100-104 may results in strong dynamical non-local effects-posing in particular limits on the applicability of DMFT. We believe that our anisotropy measure of Eq.…”