【617】 Metal-insulator transition in CaVO$_3$ thin films from DFT+DMFT

23 Aug 2017, 17:15
15m
Talk Correlated-Electron Physics in Transition-Metal Oxides Correlated-Electron Physics in Transition-Metal Oxides

Speaker

Sophie Beck (ETH Zurich)

Description

Complex oxide thin films and heterostructures exhibit a wide variety of interesting functionalities that are generally determined by numerous factors.
Here, we investigate the effects of epitaxial strain, dimensional confinement, as well as interface and surface effects on the electronic properties of the correlated metal CaVO$_3$, using a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We show that tensile epitaxial strain can induce a metal-insulator transition in CaVO$_3$, and we demonstrate that this strain effect cooperates with a similar tendency originating from the finite thickness of the film, consistent with recent experimental observations. Furthermore, we also address the influence of the substrate-film interface in CaVO$_3$/LaAlO$_3$ heterostructures.

Primary authors

Sophie Beck (ETH Zurich) Dr Gabriele Sclauzero (ETH Zurich) Prof. Claude Ederer (ETH Zurich)

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