Electric field modulation on negative Poisson's ratio of Two-dimensional arsenic and antimony monolayers by first-principles calculation

Abstract

We have introduced the auxetic effect in MBP-analog Sb for the first time, and achieve NPR modulations on monolayer As and Sb via first-principles calculation. Comparing with As, the monolayer Sb is phonon unstable. By applying an uniaxial strain along each directions, we discovered a zigzag-vertical reversibility on out-of-plane NPR, and the NPR values 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 NPR values could be significantly manipulated by applying vertical electrical fields, as increased up to 70.3% for monolayer As and decreased up to 55.6% for monolayer Sb. Such intrinsic NPR and electric field modulation could make those monolayers potential applications in auxetic optoelectronic devices, electrodes and sensors, leading to novel multi-functionalities.

arXiv comment12 pages, 5 figures, 2 tables

References in corpus (11)

• Strain-induced gap modification in black phosphorus
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Negative Poisson's Ratio in Single-Layer Black Phosphorus
• Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions
• Tuning of the electronic and optical properties of single layer black phosphorus by strain
• Enhanced piezoelectricity and modified dielectric screening of 2-D group-IV monochalcogenides
• Negative Poisson's Ratio in 1T-Type Crystalline Two-Dimensional Transition Metal Dichalcogenides
• Pentagonal Monolayer Crystals of Carbon, Boron Nitride, and Silver Azide
• A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending
• Stable single-layer honeycomb like structure of silica
• First principles investigation of pressure related quantum transport in pure black phosphorus devices