English

Microscopic understanding of the orbital splitting and its tuning at oxide interfaces

Strongly Correlated Electrons 2015-03-20 v1 Materials Science

Abstract

By means of a Wannier projection within the framework of density functional theory, we are able to identify the modified c-axis hopping and the energy mismatch between the cation bands as the main source of the t2gt_{2g} splitting around the Γ\Gamma point for oxide heterostructures, excluding previously proposed mechanisms such as Jahn-Teller distortions or electric field asymmetries. Interfacing LaAlO3_3, LaVO3_3, SrVO3_3 and SrNbO3_3 with SrTiO3_3 we show how to tune this orbital splitting, designing heterostructures with more dxyd_{xy} electrons at the interface. Such an "orbital engineering" is the key for controlling the physical properties at the interface of oxide heterostructures.

Keywords

Cite

@article{arxiv.1205.4001,
  title  = {Microscopic understanding of the orbital splitting and its tuning at oxide interfaces},
  author = {Zhicheng Zhong and Philipp Wissgott and Karsten Held and Giorgio Sangiovanni},
  journal= {arXiv preprint arXiv:1205.4001},
  year   = {2015}
}

Comments

4.5 pages, 4 figures, submitted on May 9. 2012 to Physical Review. PDF Supplementary material containing tables of hopping and energy levels for the different heterostructures