Stress-sign-tunable Poisson's Ratio in Monolayer Blue Phosphorus Oxide
Abstract
Negative Poisson's ratio (NPR) materials have attracted tremendous interest due to their unusual physical properties and potential applications. Certain two-dimensional (2D) monolayer materials have also been found to exhibit NPR and the corresponding deformation mechanism varies. In this study, we found, based on first-principles calculations, that the Poisson's ratio (PR) sign of monolayer Blue Phosphorus Oxide (BPO) can be tuned by strain: the PR is positive under uniaxial strain <= -1% but becomes negative under > 0. The deformation mechanism for BPO under strain depends on the mutual competition between the P-P attraction and P-O repulsion effect, and these two factors induce two different deformation pathways (one with positive PR, and the other with NPR). Moreover, with increasing of strain, both the decreased strength of P-P attraction and the increased strength of P-O repulsion effect modulate the PR of BPO from positive to negative.
Keywords
Cite
@article{arxiv.1808.01733,
title = {Stress-sign-tunable Poisson's Ratio in Monolayer Blue Phosphorus Oxide},
author = {Bowen Zeng and Mengqiu Long and Yulan Dong and Jin Xiao and Shidong Zhang and Yougen Yi and Yongli Gao},
journal= {arXiv preprint arXiv:1808.01733},
year = {2019}
}
Comments
16 Pages, 4 figures