摘要
该文利用密度泛函理论计算了石墨烯6×3×1单层分子中的电子传输特性.计算结果表明,Si掺杂位置不同,石墨烯的能带结构发生改变.然后沿锯齿型方向加电极电压0.5V,再分别沿锯齿型方向和扶手椅型方向进行掺杂,利用Dmol^3模块分析得到其传输特性曲线.计算结果表明,在掺杂原子均匀分布时,在其两端加正向电压和反向电压的情况下,电子传输相对较为稳定.当沿锯齿型方向和扶手椅型方向间隔掺杂时,电子反向传输浮动较大.并且发现在扶手椅型方向上掺入Si原子增多,则电子传输曲线峰值降低,符合欧姆定律的特性.
In this paper,we study the transport properties of graphene doped structures.Using the density functional theory we discuss the electron transport properties of graphene 6×3×1 monolayer molecules.The results show that the graphene doped Si in different position,the energy band structure of graphene is changed.And then the electrode voltage is added along the X axis by 0.5 volt.The transmission characteristic curve is analyzed by using the Dmol 3 code,and the doped Si is along the transmission direction and perpendicular to the transmission direction.The doping atoms are evenly distributed,and when the forward voltage and the reverse voltage are applied to both ends,the electron transport is relatively stable.When the doping atoms are at intervals along the transmission direction and perpendicular to the transmission direction,the electronic reverse transmission floats large.It has been found that Si atoms are added in the direction perpendicular to the transmission direction,and the peak value of the transmission curve is reduced,which was consistent with the characteristics of Ohm's law.
作者
熊德永
刁心峰
唐延林
马慧
令狐荣锋
XIONG De-yong;DIAO Xin-feng;TANG Yan-lin;MA Hui;LINGHU Rong-feng(School of Physics and Electronic Sciences,Guizhou Education University,Guiyang 550018,China;School of Big Data and Information Engineering,Guizhou University,Guiyang 550025,China;School of Biology and Engineering,Guizhou Medical University,Guiyang 550025,China)
出处
《广西师范学院学报（自然科学版）》
2018年第3期46-49,共4页
Journal of Guangxi Teachers Education University(Natural Science Edition)
基金
国家自然科学基金(11364007)
贵州省科学技术基金项目(黔科合J字[2013]2242号)
贵州省教育厅创新团队基金(黔教教合人才团队(2014)38号)
贵州省教育厅特色重点实验室基金(黔教合KY(2014)217号)
贵州省教育厅青年人才成长项目(黔教合KY字(2016)215)
关键词
石墨烯
硅掺杂
传输特性
graphene
doped silicon
transmission characteristics
作者简介
熊德永(1976—),男,贵州石阡人,副教授,硕士生,研究方向:凝聚态物理、无线电物理.13984881100@163.com。
