Fermi level density of states modulation without charge transfer in nickelate superlattices

TL;DR

This study uses first-principles calculations to show that in nickelate superlattices, the Fermi level density of states can be modulated by interface geometry without charge transfer, revealing a new electronic response mechanism.

Contribution

It introduces a novel way to modulate electronic states in nickelate heterostructures without charge transfer, differing from traditional interface phenomena.

Findings

Fermi level density of states is significantly reduced without charge transfer.

Electronic state redistribution is distinct from charge and orbital reconstruction.

Results provide new insights into transition-metal oxide heterostructures.

Abstract

By using first-principles density functional theory calculations for (LaNiO3)m/(SrTiO3)n superlattices, we report a systematic way of electronic response to the interface geometry. It is found that Fermi level density of states of metallic nickelate layers is significantly reduced without charge transfer in the vicinity of interface to the insulating SrTiO3. This type of electronic state redistribution is clearly distinctive from other interface phenomena such as charge and orbital reconstruction. Our result sheds new light towards understanding the nickelates and other transitionmetal oxide heterostructures.