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arXiv · 1306.2238

Ab initio study of $Z_2$ topological phases in perovskite (111) $(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2$ and $(\text{KTaO}_3)_7/(\text{KPtO}_3)_2$ multilayers

J. L. Lado·V. Pardo·D. Baldomir
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Abstract

Honeycomb structures formed by the growth of perovskite 5d transition metal oxide heteroestructures along the (111) direction in $t_{2g}^5$ configuration can give rise to topological ground states characterized by a topological index $\nu$=1. Using a combination of a tight binding model and ab initio calculations we study the multilayers $(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2$ and $(\text{KTaO}_3)_7/(\text{KPtO}_3)_2$ as a function of parity asymmetry, on-site interaction and uniaxial strain and determine the nature and evolution of the gap. $(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2$ is found to be a topological semimetal. $(\text{KTaO}_3)_7/(\text{KPtO}_3)_2$ is a topological Mott insulator that can be driven to a trivial insulating phase by an external electric field.

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J. L. Lado, V. Pardo, D. Baldomir. 2013-06-10. Ab initio study of $Z_2$ topological phases in perovskite (111) $(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2$ and $(\text{KTaO}_3)_7/(\text{KPtO}_3)_2$ multilayers. https://doi.org/10.1103/physrevb.88.155119

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