缺陷对单层硅烯纳米梁振动频率的影响  

Effect of defects on vibration frequency of monolayer silicene nanobeams

作　　者：张文博 王静[1] ZHANG Wen-Bo;WANG Jing(College of Physics Science and Technology,Xinjiang University,Urumqi 830017,China)

机构地区：[1]新疆大学物理科学与技术学院,乌鲁木齐830017

出　　处：《原子与分子物理学报》2025年第6期76-82,共7页Journal of Atomic and Molecular Physics

基　　金：新疆维吾尔自治区自然科学基金(2022D01C423);新疆维吾尔自治区自然科学计划重点项目(2023D01D03);东南大学微机电系统教育部重点实验室开放研究基金。

摘　　要：由于硅纳米谐振器在量子计算、传感器、医学等方面存在广泛的应用,使其物理性质的研究具有重要意义.本文通过分子动力学模拟方法研究了掺杂元素、空位缺陷、掺杂浓度对单层硅烯纳米梁振动特性的影响.研究结果表明,单层硅烯纳米梁的振动频率随着纳米梁长度的增加而减小.单元素、双元素掺杂均会导致单层硅烯纳米梁的振动频率的增加,且随着掺杂浓度的增加纳米梁的振动频率整体呈现增大的趋势.此外,单空位缺陷会导致单层硅烯纳米梁的振动频率随着缺陷浓度的增加而减小.掺杂-单空位缺陷的单层硅烯纳米梁的振动频率则呈现了随着掺杂浓度的增加先减小后增加的变化趋势.这些变化规律均是由掺杂元素、空位缺陷以及它们共同作用的结果.此研究结果对硅烯纳米谐振器,振荡器等纳米器件的设计具有一定的理论指导意义.The investigation of the physical properties of silicon nanoresonators is of great importance due to their extensive applications in various fields such as quantum computing,sensors,medicine.This paper uses molecular dynamics simulation to explore the impact of doping elements,doping concentration,and vacancy defects on the vibration characteristics of monolayer silicene nanoribbons.The results indicate that as the length increases,the vibration frequency of monolayer silicene nanoribbons decreases.Both single-element and double-element dopings enhance the vibration frequency of single-layer silicene nanoribbons,with a further increase observed at higher doping concentrations.Moreover,an increase in defect concentration leads to a decrease in the vibration frequency of single-layer silicene nanoribbons.These changes can be attributed to the interaction between dopant elements and vacancy defects.The results of this study have theoretical implications for the design of silicene nanoresonators,oscillators,and other nano-devices.

关 键 词：硅烯 掺杂 振动频率 分子动力学 

分 类 号：O469[理学—凝聚态物理]