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Electric field modulation on the auxetic effect of BP-analog As and Sb monolayer by first-principles calculation

Abstract

In this paper, we have introduced the auxetic effect in black phosphorus (BP) analog Sb, and achieved auxetic modulations on monolayer As and Sb via first-principles calculation. Comparing with As, the monolayer Sb is phonon unstable. By applying a uniaxial strain along each direction, we discovered a zigzag-vertical reversibility on out-of-plane auxeticity, and the negative Poisson’s ratio for monolayer As and Sb are simulated to be -0.125/-0.172 and -0.036/-0.063 by applying strain along zigzag/vertical directions. The negative Poisson’s ratio could be significantly manipulated by applying vertical electric field, as increased up to 70.3% for monolayer As and decreased up to 55.6% for monolayer Sb. Such intrinsic negative Poisson’s ratio and electric field modulation could make those monolayers potential applications in auxetic optoelectronic devices, electrodes and sensors, leading to novel multi-functionalities.

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Article information


Submitted
23 Dec 2019
Accepted
25 Mar 2020
First published
25 Mar 2020

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
Article type
Paper

Electric field modulation on the auxetic effect of BP-analog As and Sb monolayer by first-principles calculation

X. Rong, Y. Li, S. Han, P.J. Cao, Y.X. Zeng, W. Xu, M. Fang, W. Liu, D.L. Zhu and Y. Lu, Phys. Chem. Chem. Phys., 2020, Accepted Manuscript , DOI: 10.1039/C9CP06933J

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