Theoretical Calculation of Electronic Structure and Optical Properties of MgB2

摘要：

　　This paper uses the first principle of Density functional theory(DFT)to theoretically calculate the electronic structure parameters and optical properties of MgB2 superconductors.In the analysis of electronic structural parameters,the unitary model of MgB2 was optimized by generalized gradient approximation and local density functional approximation,and the lattice parameters of the model were adjusted.The dielectric constant spectrum of photon energy and MgB2,the refractive index of MgB2,the photon reflection spectrum,the photon absorption spectrum and the energy loss function of MgB2 were obtained by calculation.Through the comparison of various relational graphs of MgB2,the conclusion that they have a mathematically proportional correspondence is obtained.

关键词： superconductor electronic structure optical properties

作者: Zhang Jun

作者单位: Guizhou University of Commerce,Guiyang,Guizhou,China

会议类型: 国际会议

会议名称: 2019年第二届智能系统研究与机电工程国际会议(ISRME 2019) 2019 2nd International Conference on Intelligent Systems Research and Mechatronics Engineering

会议地点: 太原

会议语种:英文

页码: 227-231

在线出版日期: 2019-06-29（万方平台首次上网日期，不代表论文的发表时间）