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Tuning the electronic properties of two dimensional InSe/In2Se3 heterostructure via ferroelectric polarization and strain

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Abstract Two dimensional (2D) ferroelectric heterostructures with tunable electronic properties show many novel physical properties, which have gradually aroused great interest. Herein, based on first-principle calculations, we present a comprehensive… Click to show full abstract

Abstract Two dimensional (2D) ferroelectric heterostructures with tunable electronic properties show many novel physical properties, which have gradually aroused great interest. Herein, based on first-principle calculations, we present a comprehensive research on the electronic properties of InSe/In2Se3 ferroelectric van der Waals heterostructures with and without strains. We have obtained the most stable stack configuration of the heterostructure. Under a certain strain, the pure electric field can control the change of semiconductor types and the transition between direct and indirect band gap. In addition, we found that the built-in electric field served by ferroelectric polarization makes the InSe/In2Se3 heterostructure have higher light absorption than monolayer InSe and In2Se3. Our results show that InSe/In2Se3 heterostructure may have great potential applications in electronic and optoelectronic devices or other fields.

Keywords: heterostructure; inse in2se3; in2se3 heterostructure; ferroelectric polarization; electronic properties; two dimensional

Journal Title: Computational Materials Science
Year Published: 2021

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