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A two-dimensional tetragonal yttrium nitride monolayer: a ferroelastic semiconductor with switchable anisotropic properties

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Abstract

We propose a two-dimensional (2D) tetragonal material: an yttrium nitride (t-YN) monolayer, with a distinguished combination of mechanical and electronic properties based on first-principles calculations. We find that the t-YN monolayer is a low direct band gap semiconductor (0.55 eV) with strong anisotropic mechanical and electronic properties. We also identify that the t-YN monolayer to be a 2D ferroelastic material with a reversible strain of about 14.4%, indicating that the anisotropic properties of the t-YN monolayer can be switched by applying external stress. Furthermore, the moderate-switching barrier (33 meV/atom) of ferroelastic lattice rotation renders the switchable anisotropic properties accessible experimentally. These outstanding properties make the t-YN monolayer a promising switchable anisotropic 2D material for electronic and mechanical applications.

Graphical abstract: A two-dimensional tetragonal yttrium nitride monolayer: a ferroelastic semiconductor with switchable anisotropic properties

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Publication details

The article was received on 02 Aug 2017, accepted on 21 Nov 2017 and first published on 22 Nov 2017


Article type: Paper
DOI: 10.1039/C7NR05679F
Citation: Nanoscale, 2017, Advance Article
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    A two-dimensional tetragonal yttrium nitride monolayer: a ferroelastic semiconductor with switchable anisotropic properties

    B. Xu, H. Xiang, J. Yin, Y. Xia and Z. Liu, Nanoscale, 2017, Advance Article , DOI: 10.1039/C7NR05679F

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