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Issue 3, 2019
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Negative Poisson's ratio in 2D life-boat structured crystals

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Abstract

Two-dimensional auxetic materials with negative Poisson's ratio expand in response to a tensile strain in cross-section. Such counter-intuitive behaviours have been mainly ascribed to concave structures with ideal rigid ball-stick models. Here, based on first-principles calculations, we systematically analyze the mechanical behaviours of three life-boat structured two-dimensional (2D) materials and report two new auxetic materials: δ-arsenic and δ-graphane. The calculated Poisson's ratio values are correlated with Young's modulus, cohesive energy, and valence shell electron pair repulsion of isostructures. Combining with previous research, we provide a self-consistent explanation of the origin of the 2D in-plane negative Poisson's ratio and an algorithmic route to discover new auxetic materials by comparing the energy restored in bond rotation and stretch.

Graphical abstract: Negative Poisson's ratio in 2D life-boat structured crystals

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Publication details

The article was received on 16 Nov 2018, accepted on 11 Dec 2018 and first published on 12 Dec 2018


Article type: Paper
DOI: 10.1039/C8NA00352A
Nanoscale Adv., 2019,1, 1117-1123
  • Open access: Creative Commons BY-NC license
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    Negative Poisson's ratio in 2D life-boat structured crystals

    R. Fang, X. Cui, C. Stampfl, S. P. Ringer and R. Zheng, Nanoscale Adv., 2019, 1, 1117
    DOI: 10.1039/C8NA00352A

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