The Influence of Lattice Vacancy on Electrical and Optical Properties of Mg2Si

摘要：

　　A detailed theoretical study on the influence of lattice vacancy on structural and optical properties of the magnesium silicide Mg2Si has been performed based on the first-principles pseudopotential method.The results show that Mg2Si has changed from indirect band gap semiconductor to direct band gap semiconductor because of Mg vacancy.Compared with the dielectric function, absorption coefficient, refractive index, reflectivity and photon conductivity of Mg2Si, those peaks of Mg15Si8 appear from 0 to 1.8 eV.And the loss functions biggest peak of Mg15Si8 moves to the direction of high energy.

关键词： Magnesium silicide Lattice vacancy First-principles Electrical properties Optical properties

作者: Qian Chen Kan Chen Qing Chen Qing-quan Xiao Quan Xie

作者单位: College of Big Data and Information Engineering, Guizhou University, Institute of New Materials and Technology, Guizhou University, Guiyang, 550025, P.R.China

会议类型: 国际会议

会议名称: The 2016 China Functional Materials Technology and Industry Forum (2016中国国际功能材料大会暨第九届中国功能材料及其应用学术会议)

会议地点: 重庆

会议语种:英文

页码: 581-587

在线出版日期: 2016-07-25（万方平台首次上网日期，不代表论文的发表时间）