人工晶体学报2018，Vol.47Issue(1)：77-85,9.
石墨烯中嵌入硅纳米线的第一性原理研究
First-principles Study on Silicon Nanowires Embedded in Graphene
摘要
Abstract
Electronic properties of different kinds of silicon nanowires embedded in graphene were studied by using the first-principles calculation method based on density functional theory.The configuration of stability,band structure, density of states and difference charge density of silicon nanowires embedded structures were analyzed.The results show that(1)the straight line-I silicon nanowire embedded structure has a band gap, and the size of the band gap is regulated by the silicon content.(2)armchair silicon nanowire embedded structure and straight line-II silicon nanowire embedded structure change from a semiconductor to a conductor.关键词
第一性原理/硅纳米线/电子性质Key words
first principle/silicon nanowire/electronic property分类
数理科学引用本文复制引用
张园园,吕燕伍..石墨烯中嵌入硅纳米线的第一性原理研究[J].人工晶体学报,2018,47(1):77-85,9.基金项目
国家自然科学基金(60976070) （60976070）
