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