辅助
单层
泊松比
材料科学
各向异性
泊松分布
密度泛函理论
模数
声子
凝聚态物理
纳米技术
复合材料
光学
物理
量子力学
统计
数学
作者
Bing Wang,Qisheng Wu,Yehui Zhang,Liang Ma,Jinlan Wang
标识
DOI:10.1021/acsami.9b10472
摘要
Auxetic materials, known with negative Poisson's ratio, are highly desirable for many advanced applications, but the candidates are rather scarce, especially at low dimension. Motivated by the re-entrant structure that often exposes negative Poisson's ratio, we predict a two-dimensional (2D) planar B4N monolayer as a promising auxetic material with unusual in-plane negative Poisson's ratio within the framework of density functional theory calculations. B4N monolayer also exhibits a highly emerged mechanical anisotropy, characterized by Young's modulus and Poisson's ratio. In addition, this monolayer shows superior mechanical flexibility in ideal tensile strength and critical strain values. The phonon dispersion calculations and ab initio molecular dynamics simulations further demonstrate that this monolayer also owns excellent dynamical and thermal stabilities. The fantastic mechanical properties coupled with robust structural stability render the auxetic B4N monolayer promising for future nanomechanical devices.
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