Fundamental difference in the electronic reconstruction of infinite-layer versus perovskite neodymium nickelate films on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>(001)

Abstract

The discovery of superconductivity in a noncuprate NdNiO${}_{2}$ film on SrTiO${}_{3}$(001) has raised significant interest, though its origin is so far elusive. Since the bulk compound shows no superconductivity, here the authors focus on the role of the film geometry and surface and interface from first principles. A fundamentally distinct electronic reconstruction is found for the infinite layer, as opposed to perovskite films, involving the emergence of an interfacial two-dimensional electron gas and a concomitant depletion of the self-doping Nd 5$d$ states, rendering cupratelike behavior.

Topics & Concepts