Two-dimensional electron gas at LaInO$_3$/BaSnO$_3$ interfaces controlled by a ferroelectric layer

Fang, Le; Aggoune, Wahib; Ren, Wei; Draxl, Claudia

doi:10.48550/arxiv.2201.05449

Cited by 1 publication

(1 citation statement)

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“…Overall, our results demonstrate the potential of this material combination for achieving high 2DEGs at polar/nonpolar interfaces and manipulating them. The most striking features of our work have been published recently [29]. Here, we provide an in-depth analysis behind our findings.…”

Section: Introductionsupporting

confidence: 54%

How ferroelectric BaTiO$_3$ can tune a two-dimensional electron gas at the interface of LaInO3 and BaSnO$_3$: a first-principles study

Fang¹,

Aggoune²,

Ren³

et al. 2022

Preprint

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The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional theory, we investigate the possibility to control the characteristics of the 2DEG formed at the LaInO3/BaSnO3 interface by including a ferroelectric BaTiO3 layer. To do so, we examine how the orientation of the ferroelectric polarization impacts density and confinement of the 2DEG. We find that aligning the ferroelectric polarization toward (outward) the LaInO3/BaSnO3 interface leads to an accumulation (depletion) of the interfacial 2DEG. Varying its magnitude, we find a linear effect on the 2DEG charge density that is confined within the BaSnO3 side. Analysis of the optimized geometries revels that inclusion of the BaTiO3 block makes structural distortions at the LaInO3/BaSnO3 less pronounced, which, in turn, enhances the 2DEG density. Thicker ferroelectric layers allow for reaching higher polarization magnitudes. We discuss the mechanisms behind all these findings and rationalize how the characteristics of both 2DEG and 2D hole gases can be controlled in the considered heterostructures. Overall, our results can be generalized to other combinations of ferroelectric, polar, and nonpolar materials.

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Section: Introductionsupporting

confidence: 54%