• Corpus ID: 218869594

Multilayer engineering of CaVO$_3$ thin films with SrTiO$_3$ and LaAlO$_3$ from DFT+DMFT

@article{Beck2020MultilayerEO,
  title={Multilayer engineering of CaVO\$\_3\$ thin films with SrTiO\$\_3\$ and LaAlO\$\_3\$ from DFT+DMFT},
  author={Sophie Beck and Claude Ederer},
  journal={arXiv: Strongly Correlated Electrons},
  year={2020}
}
In this paper we use density functional theory combined with dynamical mean-field theory (DFT+DMFT) to study interface effects between thin films of the correlated metal CaVO$_3$ and the two typical substrate materials SrTiO$_3$ and LaAlO$_3$. We find that the CaVO$_3$/SrTiO$_3$ interface has only a marginal influence on the CaVO$_3$ thin film, with the dominant effect being the (bulklike) epitaxial strain imposed by the large lattice mismatch, rendering the CaVO$_3$ film insulating due to the…