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Bending-induced extension in two-dimensional crystals |
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| Authors: | Douxing Pan Yao Li Tzu-Chiang Wang Wanlin Guo |
| Affiliation: | 1. State Key Laboratory of Nonlinear Mechanics,Institute of Mechanics,Chinese Academy of Sciences,Beijing 100190,China;University of Chinese Academy of Sciences,Beijing 100049,China;2. State Key Laboratory of Mechanics and Control for Mechanical Structures and Key Laboratory for Intelligent Nano Materials and Devices (MOE),Nanjing University of Aeronautics and Astronautics,Nanjing 210016,China;3. State Key Laboratory of Nonlinear Mechanics,Institute of Mechanics,Chinese Academy of Sciences,Beijing 100190,China |
| Abstract: | 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. |
| Keywords: | Monolayer black phosphorus Bending to extension Accordion effect Density functional theory |
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