Bending-induced extension in two-dimensional crystals

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• 作者：Douxing Pan ; Yao Li ; Tzu-Chiang Wang ; Wanlin Guo
• 关键词：Monolayer black phosphorus ; Bending to extension ; Accordion effect ; Density functional theory
• 刊名：Acta Mechanica Sinica
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：33
• 期：1
• 页码：71-76
• 全文大小：
• 刊物类别：Engineering
• 刊物主题：Theoretical and Applied Mechanics; Classical and Continuum Physics; Engineering Fluid Dynamics; Computational Intelligence;
• 出版者：The Chinese Society of Theoretical and Applied Mechanics; Institute of Mechanics, Chinese Academy of
• ISSN：1614-3116
• 卷排序：33

文摘

We find by ab initio simulations that significant overall tensile strain can be induced by pure bending in a wide range of two-dimensional crystals perpendicular to the bending moment, just like an accordion being bent to open. This bending-induced tensile strain increases in a power law with bent curvature and can be over 20% in monolayered black phosphorus and transition metal dichalcogenides at a moderate curvature of \(2\,\hbox {nm}^{-1}\) but more than an order weaker in graphene and hexagon boron nitride. This accordion effect is found to be a quantum mechanical effect raised by the asymmetric response of chemical bonds and electron density to the bending curvature.