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Issue 44, 2020
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Ferroelectricity and phase transitions in In2Se3 van der Waals material

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Abstract

van der Waals layered α-In2Se3 has shown out-of-plane ferroelectricity down to the bilayer and monolayer thicknesses at room temperature that can be switched by an applied electric field. This work addresses the missing theoretical framework through a comprehensive study on the layer-dependent electronic structure, ferroelectricity and the inter-layer interaction of α-In2Se3, by using first-principles density functional theory. Furthermore, surface states and their response to the built-in internal depolarizing field were carefully analyzed. Phase transition and Curie temperatures of 1L α-In2Se3 were studied by employing Monte Carlo and ab initio molecular dynamics simulations. The estimated Curie point is above room temperature, making 1L α-In2Se3 a promising candidate for future ultra-thin ferroelectric devices.

Graphical abstract: Ferroelectricity and phase transitions in In2Se3 van der Waals material

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Article information


Submitted
28 May 2020
Accepted
13 Oct 2020
First published
15 Oct 2020

Nanoscale, 2020,12, 22688-22697
Article type
Paper

Ferroelectricity and phase transitions in In2Se3 van der Waals material

M. Soleimani and M. Pourfath, Nanoscale, 2020, 12, 22688
DOI: 10.1039/D0NR04096G

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