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Issue 15, 2015
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Mechanical properties and stabilities of g-ZnS monolayers

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Abstract

We investigate the mechanical properties and stabilities of the planar graphene-like zinc sulfide (g-ZnS) monolayers under various large strains using electronic structure calculations. The g-ZnS has a low in-plane stiffness, about 1/8 of that of graphene. The potential profiles and the stress–strain curves indicate that the free standing g-ZnS monolayers can sustain large tensile strains, up to 0.16, 0.22, and 0.19 for armchair, zigzag, and biaxial deformations, respectively. However, both the strength and flexibility are reduced compared to graphene-like zinc oxide monolayers. The third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.02, 0.04, and 0.08 respectively. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure, while the trend in the Poisson ratio is reversed. Our results imply that g-ZnS monolayers are mechanically stable under various large strains. The elastic limits provide a safe-guide for strain-engineering the g-ZnS based electronics.

Graphical abstract: Mechanical properties and stabilities of g-ZnS monolayers

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Publication details

The article was received on 05 Nov 2014, accepted on 12 Jan 2015 and first published on 12 Jan 2015


Article type: Paper
DOI: 10.1039/C4RA13872D
Author version available: Download Author version (PDF)
Citation: RSC Adv., 2015,5, 11240-11247
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    Mechanical properties and stabilities of g-ZnS monolayers

    Q. Peng, L. Han, X. Wen, S. Liu, Z. Chen, J. Lian and S. De, RSC Adv., 2015, 5, 11240
    DOI: 10.1039/C4RA13872D

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