Ab initio study of Z2 topological phases in perovskite (111) (SrTiO3)7/(SrIrO3)2 and (KTaO 3)7/(KPtO3)2 multilayers

J. L. Lado, V. Pardo, D. Baldomir

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35 Citations (Scopus)

Abstract

Honeycomb structures formed by the growth of perovskite 5d transition metal oxide heterostructures along the (111) direction in a t2g5 configuration can give rise to topological ground states characterized by a topological index ν=1, as reported by Xiao. Using a combination of a tight binding model and ab initio calculations we study the multilayers (SrTiO3)7/(SrIrO 3)2 and (KTaO3)7/(KPtO3)2 as a function of parity asymmetry, on-site interaction U, and uniaxial strain and determine the nature and evolution of the gap. According to our density functional theory calculations, (SrTiO3)7/(SrIrO3)2 is found to be a topological semimetal whereas (KTaO3)7/(KPtO 3)2 is found to present a topological insulating phase that can be understood as the high U limit of the previous one, that can be driven to a trivial insulating phase by a perpendicular external electric field.

Original languageEnglish
Article number155119
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume88
Issue number15
DOIs
Publication statusPublished - 18 Oct 2013
MoE publication typeA1 Journal article-refereed

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