Structural and electronic phenomena at oxyfluoride KTaO${}_3$/K$M$F${}_3$ ($M$ = Zn and Ni) superlattices: Rashba splitting and 2DEG

Abstract

Here, we present the theoretical analysis of the structural and electronic degrees of freedom of two different oxide/fluoride perovskite superlattices, KTaO${}_3$/KZnF${}_3$ and KTaO${}_3$/KNiF${}_3$. Using first-principles calculations, we found the appearance of a two-dimensional electron, 2DEG, and hole, 2DHG, gases as a function of the number of layers of the different pristine materials. We demonstrate that the phonon-dynamics at the KTO/K$M$F superlattices play a crucial role in the appearance of these effects. Additionally, our results reveal a rather sizeable Rashba-type spin-splitting at these interfaces in comparison to another oxide/oxide counterparts.

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Cited by in corpus (2)

• Rashba-like spin-orbit interaction and spin texture at the KTaO${}_{\text{3}}$ (001) surface from DFT calculations
• Large geometric polarization and magnetic behavior in the multiferroic quasi-2D SrNiF${}_4$ fluoride