论文标题
负泊松比与层间相互作用的一致行为
The consistent behavior of negative Poissons ratio with interlayer interactions
论文作者
论文摘要
由于在许多领域中的新应用，负泊松比（NPR）引起了极大的兴趣。电影是涉及多层的实际应用中最常用的形式。但是，层间相互作用对NPR的影响尚不清楚。在这项研究中，基于第一原理计算，我们通过比较研究单层石墨烯，几层石墨烯，H-BN和石墨烯-BN异质结构来系统地研究层间相互作用对NPR的影响。发现它们几乎具有相同的几何形状响应。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。基本机制在于，在层间相互作用的影响下，对轨道耦合应变的响应是一致的。在本研究中实现的层间相互作用对NPR的深刻理解对具有基于纳米结构的新功能的微型/纳米级机电设备的未来设计和开发是有益的。
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.
