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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.
Silicon dioxide or silica, normally existing in various bulk crystalline and amorphous forms, is recently found to possess a two-dimensional structure. In this work, we use ab initio calculation and evolutionary algorithm to unveil three new 2D silic
We present first-principles calculations of elastic properties of multilayered two-dimensional crystals such as graphene, h-BN and 2H-MoS2 which shows that their Poissons ratios along out-of-plane direction are negative, near zero and positive, respe
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Based on variable components global optimization algorithm, we predict a stable two-dimensional (2D) phase of boron phosphide with 1:5 stoichiometry, i.e. boron pentaphosphide (BP_5) monolayer, which has a lower formation energy than that of the comm
Most materials exhibit positive Poissons ratio (PR) values but special structures can also present negative and, even rarer, zero (or close to zero) PR. Null PR structures have received much attention due to their unusual properties and potential app