Issue 3, 2019

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

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

Supplementary files

Article information

Article type
Paper
Submitted
16 Nov 2018
Accepted
11 Dec 2018
First published
12 Dec 2018
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2019,1, 1117-1123

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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