Abstract
Most recently, orbital-selective quantum well states of electrons have been observed in SrVO ultrathin films and SrTiO 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.
- Received 8 March 2013
DOI:https://doi.org/10.1103/PhysRevB.88.125401
©2013 American Physical Society