Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session G64: Strong Correlation, Competing Phases, and Spin-Orbit Interactions in Complex Oxide Heterostructures
11:15 AM–2:15 PM,
Tuesday, March 3, 2020
Room: Mile High Ballroom 4E
Sponsoring
Unit:
DMP
Chair: Alexandru Bogdan Georgescu, Simons Foundation
Abstract: G64.00003 : Metal-insulator transition and charge transfer in complex oxide heterostructures from DFT+DMFT
Presenter:
Sophie Beck
(Materials Theory, ETH Zurich)
Authors:
Sophie Beck
(Materials Theory, ETH Zurich)
Claude Ederer
(Materials Theory, ETH Zurich)
We discuss several examples where factors, such as e.g. lattice missmatch-induced epitaxial strain, dimensional confinement, and multilayer engineering lead to modifications of structural as well as electronic properties, that give rise to a variety of phases not present in the corresponding bulk compounds.
In particular, we address multilayers composed of materials that share the same B-site atom, such as, for example, LaVO3/SrVO3 and LaTiO3/CaTiO3, where the electronegativity difference leads to charge transfer from the higher valent to the lower valent transition metal cation, rendering the interface to be more metallic than the bulk constituents on a length scale of few unit cells in good agreement with experimental results. We draw a conceptual comparison to other types of heterostructures and give an overview on interface effects in early transition metal oxides.
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