{delta}-phosphorene: a two dimensional material with high negative Poissons ratio


Abstract in English

As a basic mechanical parameter, Poissons ratio ({ u}) measures the mechanical responses of solids against external loads. In rare cases, materials have a negative Poissons ratio (NPR), and present an interesting auxetic effect. That is, when a material is stretched in one direction, it will expand in the perpendicular direction. To design modern nanoscale electromechanical devices with special functions, two dimensional (2D) auxetic materials are highly desirable. In this work, based on first principles calculations, we rediscover the previously proposed {delta}-phosphorene ({delta}-P) nanosheets [Jie Guan et al., Phys. Rev. Lett. 2014, 113, 046804] are good auxetic materials with a high NPR. The results show that the Youngs modulus and Poissons ratio of {delta}-P are all anisotropic. The NPR value along the grooved direction is up to -0.267, which is much higher than the recently reported 2D auxetic materials. The auxetic effect of {delta}-P originated from its puckered structure is robust and insensitive to the number of layers due to weak interlayer interactions. Moreover, {delta}-P possesses good flexibility because of its relatively small Youngs modulus and high critical crack strain. If {delta}-P can be synthesized, these extraordinary properties would endow it great potential in designing low dimensional electromechanical devices.

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