Journal article
Tunable auxetic properties in group-IV monochalcogenide monolayers
X Kong, J Deng, L Li, Y Liu, X Ding, J Sun, JZ Liu
Physical Review B | AMER PHYSICAL SOC | Published : 2018
Abstract
Negative Poisson's ratio (NPR) is a counterintuitive material elastic constant that can lead to many unusual auxetic properties. Here, using first-principles calculations, we report tunable negative Poisson's ratio in the out-of-plane direction in group-IV monochalcogenide monolayers MX (M=Sn, Ge and X=S, Se). SnSe, GeS, and SnS monolayers have intrinsic NPR νzx ranging from -0.004 to -0.210 in armchair (x) tension, whereas GeSe monolayer possesses a much larger NPR νzy of -0.433 in zigzag (y) tension. Our analysis attributes the NPR effects to the relative position of M and X in the puckered structure and the smaller bending stiffness of M-X-M bond angle. We further established the correlat..
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Awarded by Australian Research Council
Funding Acknowledgements
The authors gratefully acknowledge the support of NSFC (Grants No. 51728203, No. 51471126, No. 51320105014, No. 51621063) and the support by 111 project 2.0 (Grant No. BP2018008). J.D. also thanks the support of the China Postdoctoral Science Foundation (Grant No. 2016T90911) and the Fundamental Research Funds for the Central Universities. J.Z.L. acknowledges the support from ARC discovery projects and HPC from National Computational Infrastructure from Australia. This work was also supported by State Key Laboratory for Mechanical Behavior of Materials and HPC platform of Xi'an Jiaotong University.