Wu Bi-Ru
Department of Natural Science, Center for General Education, Chang Gung University No. 259, Wenhua 1st Rd, Guishan Dist. Taoyuan City 33302 Taiwan
RSC Adv. 2019 Oct 15;9(56):32782-32790. doi: 10.1039/c9ra04705k. eCollection 2019 Oct 10.
This paper presents a design for silicene quantum dots (SiQDs) embedded in silicane. The shape and size of an embedded SiQD are managed by hydrogen atoms. A first-principles method was used to evaluate the magnetism as well as the electronic and structural properties of embedded SiQDs of various shapes and sizes. The shape of the embedded SiQD determined its electronic structure as well as the dot size. Moreover, the magnetic properties of SiQDs in silicane were highly shape dependent. The triangular SiQDs were all magnetic, some small parallelogram SiQDs were nonmagnetic, and all others were antiferromagnetic; almost all hexagonal SiQDs were nonmagnetic. An unequal number of bare Si atoms at the A and B sites was identified as a critical factor for establishing magnetism in embedded SiQDs. The tip of a triangular SiQD enhanced the magnetic moment of the dot. The parallelogram SiQD with two tip atoms appeared as a magnetic needle and has potential for use in spintronic applications. SiQDs embedded in silicane can be used in the design of silicon-based nanoelectronic devices and binary logic based on nanoscale magnetism.
本文提出了一种嵌入硅烷中的硅烯量子点（SiQDs）的设计方案。嵌入的SiQD的形状和尺寸由氢原子控制。采用第一性原理方法评估了各种形状和尺寸的嵌入SiQD的磁性以及电子和结构性质。嵌入的SiQD的形状决定了其电子结构以及量子点尺寸。此外，硅烷中SiQD的磁性高度依赖于形状。三角形SiQD都是磁性的，一些小的平行四边形SiQD是非磁性的，其他所有的都是反铁磁性的；几乎所有的六边形SiQD都是非磁性的。在A和B位点上裸Si原子数量不相等被认为是在嵌入SiQD中建立磁性的关键因素。三角形SiQD的尖端增强了量子点的磁矩。具有两个尖端原子的平行四边形SiQD表现为磁针，具有在自旋电子学应用中的潜力。嵌入硅烷中的SiQD可用于基于纳米级磁性的硅基纳米电子器件和二进制逻辑的设计。
