Enhancing van-Hove singularities in SrRuO$_3$ films by vacancy engineerings

TL;DR

This paper explores how structural modifications, specifically vacancy engineering, can enhance flat bands and van Hove singularities in SrRuO$_3$ films, opening new avenues for studying correlated electronic phenomena.

Contribution

It demonstrates the generation and control of nearly flat bands in SrRuO$_3$ films through vacancy engineering, providing a physical understanding of their origin and potential for flat-band physics.

Findings

Introduction of Ru-site vacancies increases nearly flat bands.

Compact localized states explain the origin of flat bands.

Multiple partial flat bands are identified in multilayer films.

Abstract

Flat bands, characterized by their localized electronic states and van Hove singularities, provide an ideal platform for exploring many-body physics. However, transition metal oxides hosting flat bands are quite rare. In this study, we investigate the origin of the existing nearly flat bands (NFBs) in SrRuO$_3$ thin films and demonstrate how to increase the number of them through structural modifications. Using a tight-binding model that replicates experimental band structures, we analyze the SrRuO$_3$ monolayer, revealing the origin of its NFBs along the $x$ and $y$ directions. These NFBs arise from destructive interference stabilizing strip-type compact localized states. By introducing periodic Ru-site vacancies, additional NFBs are generated, classified as partial or complete, depending on their Brillouin zone coverage. The compact localized states associated with these NFBs are identified, providing insight into their physical origin. For a 4-layer SrRuO$_3$ multilayer film, we uncover many partial NFBs along the $\Gamma$X and XM directions and reveal the distinct origin of their development. Our findings highlight the potential of engineering flat bands in SrRuO$_3$ films, offering new opportunities for exploring correlated electronic phases and expanding the material platform for flat-band physics.