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Web of Proceedings - Francis Academic Press
Web of Proceedings - Francis Academic Press

Theoretical Calculation of Electronic Structure and Optical Properties of MgB2

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DOI: 10.25236/isrme.2019.040


Zhang Jun

Corresponding Author

Zhang Jun


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.


Superconductor, electronic structure, optical properties