2DEGs at perovskite interfaces between KTaO3 or KNbO3 and stannates

Abstract

We report density functional studies of electron rich interfaces between KTaO3 or KNbO3 and CaSnO3 or ZnSnO3 and in particular the nature of the interfacial electron gasses that can be formed. We find that depending on the details these may occur on either the transition metal or stannate sides of the interface and in the later case can be shifted away from the interface by ferroelectricity. We also present calculations for bulk KNbO3, KTaO3, CaSnO3, BaSnO3 and ZnSnO3, showing the different transport and optical properties that may be expected on the two sides of such interfaces. The results suggest that these interfaces may display a wide range of behaviors depending on conditions, and in particular the interplay with ferroelectricity suggests that electrical control of these properties may be possible.

published version

References in corpus (9)

• BoltzTraP. A code for calculating band-structure dependent quantities
• High Mobility in a Stable Transparent Perovskite Oxide
• Electronic Structure Calculations with the Tran-Blaha Modified Becke-Johnson Density Functional
• Structure and optical properties of high light output halide scintillators
• High three dimensional thermoelectric performance from low dimensional bands
• Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3
• The Effect of Symmetry Lowering on the Dielectric Response of $BaZr{O}_3$
• Enhanced Born Charge and Proximity to Ferroelectricity in Thallium Halides
• Origin of coexisting large Seebeck coefficient and metallic conductivity in the electron doped SrTiO${}_3$ and KTaO${}_3$

Cited by in corpus (6)

• Transparent perovskite barium stannate with high electron mobility and thermal stability
• N-Type Oxide Thermoelectrics Via Visual Search Strategies
• Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction
• Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity
• Surface state at $BaSn{O}_3$ evidenced by angle-resolved photoemission spectroscopy and ab initio calculations
• Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces