论文标题
对石墨烯量子点/石墨烷和硅量子点/硅阵列的变形效应
Deformation Effect on Graphene Quantum Dot/Graphane and Silicene Quantum Dot/Silicane array
论文作者
论文摘要
本文介绍了石墨烷量子点阵列（GQD/Graphane）中的二维异质结构（2DH）系统的设计，以及在硅（SIQD/Silicane）中的硅量子点阵列。使用第一原理方法来评估磁性的变形效果以及2DH系统的电子特性。量子点（QD）阵列的能级及其氢化对应物的带结构是C和Si的2DH系统的耦合。氢化部分在QD阵列上具有菌株的一部分，但是，SIQD/硅烷中的应变共享效应比GQD/墨烷中的菌株分享效应更强。应变共享增强了低能区域中QD及其氢气的带耦合。频段耦合改变了2DH系统的电子性能，并改变了大于5％的压缩应变下，SIQD/硅阵列的三角形和平行四边形的磁性特性。应变调节2DH系统的带隙。对于SIQD/硅系统，同质应变不仅诱导从半导体到金属的相变，而且还消除了三角形和平行四边形SIQD阵列的磁性。 2DH系统可用于基于纳米级磁性的纳米电子设备和二元逻辑的设计。
This article presents a design for the two-dimensional heterostructure (2DH) systems of graphane quantum dot array in graphane (GQD/Graphane), and silicene quantum dot array in silicane (SiQD/Silicane). A first-principles method was used to evaluate the deformation effect for magnetism as well as the electronic properties for the 2DH systems. The energy levels of quantum dot (QD) array and the band structure of its hydrogenated counterpart are coupling for both 2DH systems of C and Si. The hydrogenated part shares part of strain on QD array, however, the strain sharing effect is stronger in SiQD/silicane than in GQD/graphane. The strain sharing enhances the band coupling of the QD and its hydrogen counterpart in the low energy region. The band coupling alters the electronic properties of the 2DH systems and change the magnetic properties of triangular and parallelogram of SiQD/Silicane array under compressive strain larger than 5%. Strain modulates the band gap of the 2DH system. For SiQD/Silicane systems, the homogeneous strain not only induces the phase transition of from semiconductor to metal, but also remove the magnetism of triangular and parallelogram SiQD array. The 2DH system can be used in the design of nanoelectronic devices and binary logic based on nanoscale magnetism.
