The consistent behavior of negative Poisson’s ratio with interlayer interactions
The consistent behavior of negative Poisson’s ratio with interlayer interactions
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负泊松比与层间相互作用的一致行为
DOI：
10.1039/d2ma00118g
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发表时间：
2022-02
影响因子：
5
通讯作者：
Qin Guangzhao
中科院分区：
文献类型：
--
作者：
Wang Yancong;Yu Linfeng;Zhang Fa;Chen Qiang;Zhan Yuqi;Zheng Xiong;Wang Huimin;Qin Zhenzhen;Qin Guangzhao
负泊松比（NPR）由于在许多领域的新颖应用而引起了人们的极大兴趣。薄膜是实际应用中最常用的形式，涉及多层。然而，层间相互作用对 NPR 的影响仍不清楚。在本研究中，我们基于第一原理计算，通过比较研究单层石墨烯、少层石墨烯、h-BN和石墨烯-BN异质结构，系统地研究了层间相互作用对NPR的影响。发现它们几乎具有相同的几何应变响应。因此，双层石墨烯、三层石墨烯和石墨烯-BN异质结构中的NPR与单层石墨烯和h-BN中的NPR一致。其根本机制在于，在层间相互作用的作用下，轨道耦合对应变的响应是一致的。本研究对NPR与层间相互作用影响的深入理解有利于未来基于纳米结构的具有新功能的微/纳米机电器件的设计和开发。
Negative Poissons ratio (NPR) is of great interest due to the novel applications in lots of fields. Films are the most commonly used form in practical applications, which involves multiple layers. However, the effect of interlayer interactions on the NPR is still unclear. In this study, based on first principles calculations, we systematically investigate the effect of interlayer interactions on the NPR by comparably studying single-layer graphene, few-layer graphene, h-BN, and graphene-BN heterostructure. It is found that they almost have the same geometry-strain response. Consequently, the NPR in bilayer graphene, triple-layer graphene, and graphene-BN heterostructure are consistent with that in single-layer graphene and h-BN. The fundamental mechanism lies in that the response to strain of the orbital coupling are consistent under the effect of interlayer interactions. The deep understanding of the NPR with the effect of interlayer interactions as achieved in this study is beneficial for the future design and development of micro-/nanoscale electromechanical devices with novel functions based on nanostructures.
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影响因子：
4.6
作者：
Ho DT;Kwon SY;Kim SY
通讯作者：
Kim SY
影响因子：
10.8
作者：
Liujiang Zhou;Zhiwen Zhuo;Liangzhi Kou;A. Du;S. Tretiak
通讯作者：
Liujiang Zhou;Zhiwen Zhuo;Liangzhi Kou;A. Du;S. Tretiak
影响因子：
8.6
作者：
Dion, M;Rydberg, H;Lundqvist, BI
通讯作者：
Lundqvist, BI
影响因子：
3.7
作者：
Kresse, G;Furthmuller, J
通讯作者：
Furthmuller, J
影响因子：
5.5
作者：
Deng, Binghui;Hou, Jie;Peng, Qing
通讯作者：
Peng, Qing