The role of the interface in controlling the epitaxial relationship between orthorhombic $\text{LaInO}_\text{3}$ and cubic $\text{BaSnO}_\text{3}$

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

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 LaInO$_3$/BaSnO$_3$ interface by including a ferroelectric BaTiO$_3$ 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)…

Tuning two-dimensional electron (hole) gases at LaInO$_{3}$/BaSnO$_{3}$ interfaces: Impact of polar distortions, termination, and thickness

Two-dimensional election gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. The challenge is to find a material system that exhibits both a high charge-carrier density and mobility, at and even above room temperature. Here, we explore the potential of interfaces formed by two lattice-matched wide-gap oxides of emerging interest, $\textit{i.e.}$, the polar, orthorhombic perovskite LaInO$_{3}$ and the non-polar, cubic perovskite BaSnO$_{3}$, employing density-functional theor…

Critical role of terminating layer in formation of 2DEG state at the $LaInO_{3}$/$BaSnO_{3}$ interface

Based on the interface polarization model, the two-dimensional electron gas (2DEG) at $LaInO_{3}$(LIO)/$BaSnO_{3}$(BSO) interfaces is understood to originate from a polarization discontinuity at the interface and the conduction band offset between LIO and BSO. In this scenario, the direction of polarization at the interface is determined by whether the first atomic LIO layer at the interface is LaO$^{+}$ or InO$_{2}^{-}$. We investigate the role of the terminating layer at the LIO/BSO interface in creating the 2DEG. Based on conductance measurements of our in-situ grown LIO/BSO heterostructure…

LaInO$_3$/BaSnO$_3$体系的电子结构、带阶与界面电子布居

Electronic structure, band offset, and interface electron population of the LaInO$_3$/BaSnO$_3$ system

本研究结合SXPS、HAXPES实验与DFT理论计算，探究不同LaInO$_3$覆盖层厚度的BaSnO$_3$/LaInO$_3$异质结构的电子结构，明确其界面带阶与2DEG态布居，为该体系高迁移率特性的调控提供依据。

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

With the example of LaInO$_{3}$/BaSnO$_3$, we demonstrate how both density and distribution of a two-dimensional electron gas (2DEG) formed at the interface between these perovskite oxides, can be efficiently controlled by a ferroelectric functional material. A polarization induced in a BaTiO$_3$ layer pointing toward the interface enhances the polar discontinuity which, in turn, significantly increases the 2DEG density and confinement, while, the opposite polarization depletes the 2DEG. Our predictions and analysis, based on first-principles calculations, can serve as a guide for designing su…

Adsorption-controlled plasma-assisted molecular beam epitaxy of LaInO3 on DyScO3(110): Growth window, strain relaxation, and domain pattern

We report the growth of epitaxial LaInO3 on DyScO3(110) substrates by adsorption-controlled plasma-assisted molecular beam epitaxy (PA-MBE). The adsorption-controlled growth was monitored using line-of-sight quadrupole mass spectrometry. In a thermodynamics of MBE (TOMBE) diagram, the experimental growth window was found to be significantly narrower than the predicted one. We found the critical thickness for strain relaxation of the LaInO3 layer (lattice mismatch $\approx$ -4$\%$) to be of 1 nm using in-situ RHEED analysis. Substrate and film possess an orthorhombic crystal structure which can…