English

Orbital Occupancy and Hybridization in Strained SrVO$_3$ Epitaxial Films

Strongly Correlated Electrons 2021-08-27 v1 Materials Science

Abstract

Oxygen packaging in transition metal oxides determines the metal-oxygen hybridization and electronic occupation at metal orbitals. Strontium vanadate (SrVO3_3), having a single electron in a 3d3d orbital, is thought to be the simplest example of strongly correlated metallic oxides. Here, we determine the effects of epitaxial strain on the electronic properties of SrVO3_3 thin films, where the metal-oxide sublattice is corner-connected. Using x-ray absorption and x-ray linear dichroism at the V L2,3L_{2,3} and O KK-edges, it is observed that tensile or compressive epitaxial strain change the hierarchy of orbitals within the t2gt_{2g} and ege_g manifolds. Data show a remarkable 2p3d2p-3d hybridization, as well as a strain-induced reordering of the V 3d3d(t2gt_{2g}, ege_g) orbitals. The latter is itself accompanied by a consequent change of hybridization that modulates the hybrid π\pi^* and σ\sigma^* orbitals and the carrier population at the metal ions, challenging a rigid band picture.

Keywords

Cite

@article{arxiv.2108.11718,
  title  = {Orbital Occupancy and Hybridization in Strained SrVO$_3$ Epitaxial Films},
  author = {Mathieu Mirjolet and Hari Babu Vasili and Adrian Valadkhani and José Santiso and Vladislav Borisov and Pierluigi Gargiani and Manuel Valvidares and Roser Valentí and Josep Fontcuberta},
  journal= {arXiv preprint arXiv:2108.11718},
  year   = {2021}
}