Quantum confinement in perovskite oxide heterostructures: Tight binding instead of a nearly free electron picture

Zhicheng Zhong, Qinfang Zhang, and Karsten Held
Phys. Rev. B 88, 125401 – Published 3 September 2013

Abstract

Most recently, orbital-selective quantum well states of d electrons have been observed in SrVO3 ultrathin films and SrTiO3 surfaces. We construct from first-principles simple tight-binding models for such perovskite oxide heterostructures and surfaces. We show that this model provides a simple intuitive physical picture and yields, already with only two parameters, quantitatively reliable results, consistent with experiment. For quantum wells confined to only a few atomic layers or a higher quantum number, a nearly free electron description, on the other hand, does not work.

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  • Received 8 March 2013

DOI:https://doi.org/10.1103/PhysRevB.88.125401

©2013 American Physical Society

Authors & Affiliations

Zhicheng Zhong1, Qinfang Zhang2, and Karsten Held1

  • 1Institute of Solid State Physics, Vienna University of Technology, A-1040 Vienna, Austria
  • 2Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province, Yancheng Institute of technology, China

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Vol. 88, Iss. 12 — 15 September 2013

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