Tunability of the two-dimensional electron gas at the LaAlO3/SrTiO3 interface by strain-induced ferroelectricity

Literature Information

Publication Date 2016-09-21
DOI 10.1039/C6CP04769F
Impact Factor 3.676
Authors

Wissam A. Saidi


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Abstract

The two-dimensional electron gas (2DEG) formed at the interface between two insulating materials LaAlO3 (LAO) and SrTiO3 (STO) has recently generated a lot of interest. Here, based on first-principles density functional theory calculations, we investigate the existence and stability of the 2DEG under the application of a biaxial strain on the LAO/STO(001) heterostructure. The compressive strain induces ferroelectric (FE) polarization in STO, which allows for the tunability of the 2DEG by reversing the STO polarization orientation. We show that the formation of the 2DEG is unstable when LAO and STO have the same polarization direction. On the other hand, the 2DEG will always form if the two polarizations are in the opposite directions regardless of the LAO thickness, which is in contrast to the unstrained interface that has a critical thickness for stabilizing the 2DEG. We show that the underpinnings of this behavior are due to charge passivation and band gap alignment.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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