Abstract
We explored the possibility of increasing the interfacial carrier quantum confinement, mobility and conductivity in the (LaAlO3)n/(BaTiO3)n superlattices by thickness regulation using the first-principles electronic structure calculations. Through constructing two different interfacial types of LaAlO3/BaTiO3 superlattices, we discovered that the LaO/TiO2 interface is preferred from cleavage energy consideration. We then studied the electronic characteristics of two-dimensional electron gas (2DEG) produced at the LaO/TiO2 interface in the LaAlO3/BaTiO3 superlattices via spin-polarized density functional theory calculations. The charge carrier density of 2DEG has a magnitude of 1014 cm−2 (larger than the traditional system LaAlO3/SrTiO3), which is mainly provided by the interfacial Ti 3dxy orbitals when the thicknesses of LaAlO3 and BaTiO3 layers are over 4.5 unit cells. We have also revealed the interfacial electronic characteristics of the LaAlO3/BaTiO3 system, by showing the completely spin-polarized 2DEG mostly confined at the superlattice interface. The interfacial charge carrier mobility and conductivity are found to be converged beyond the critical thickness. Therefore, we can regulate the interfacial confinement for the spin-polarized 2DEG and quantum transport properties in LaAlO3/BaTiO3 superlattice via controlling the thicknesses of the LaAlO3 and BaTiO3 layers.
Highlights
Two-dimensional electron gas (2DEG) can be generated at the interface of heterojunction constructed by two insulating perovskite materials
We show that the LaAlO3/BaTiO3 superlattices with LaO/TiO2 interface could produce the spin-polarized 2DEG, and the completely spin-polarized 2DEG is strongly confined at the interfacial TiO2 layer when the thicknesses of LaAlO3 and BaTiO3 layers are both larger than 4.5 unit cells
For LaAlO3/SrTiO3 superlattice we found that there is more electron density penetrating into the SrTiO3 near the interface
Summary
The carrier conductivity for superlattices with n ≥ 4.5 is about 2.6 times than the reference superlattice, which is consistent with the results of the interfacial charge carrier density and the relative charge carrier effective mass These results show that we can obtain a spin-polarized 2DEG by regulating the thicknesses of LaAlO3 and BaTiO3 layers in the process of growing LaAlO3/BaTiO3 superlattices
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