Ab initio study of Z2Z_2 topological phases in perovskite (111) (SrTiO3)7/(SrIrO3)2(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2 and (KTaO3)7/(KPtO3)2(\text{KTaO}_3)_7/(\text{KPtO}_3)_2 multilayers

preprint2013arXivOpen access

Abstract

Honeycomb structures formed by the growth of perovskite 5d transition metal oxide heteroestructures along the (111) direction in t2g5t_{2g}^5 configuration can give rise to topological ground states characterized by a topological index νν=1. Using a combination of a tight binding model and ab initio calculations we study the multilayers (SrTiO3)7/(SrIrO3)2(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2 and (KTaO3)7/(KPtO3)2(\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. (SrTiO3)7/(SrIrO3)2(\text{SrTiO}_3)_7/(\text{SrIrO}_3)_2 is found to be a topological semimetal. (KTaO3)7/(KPtO3)2(\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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