Volume 38, Issue 4 (Journal of Advanced Materials-Winter 2020)
2020, 38(4): 43-50 |
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Salehi H, Zhulayi Bakhoda N, Amiri P. Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide. Journal of Advanced Materials in Engineering (Esteghlal) 2020; 38 (4) :43-50
URL: http://jame.iut.ac.ir/article-1-1029-en.html
URL: http://jame.iut.ac.ir/article-1-1029-en.html
Department of Physics, Faculty of Science, ShahidChamran University of Ahvaz, Ahvaz, Iran. , salehi_h@scu.ac.ir
Abstract: (3535 Views)
In this research, the optical properties of tungsten disulfide including dielectric function, the static refractive index, the imaginary part of the dielectric function, optical band gap, energy loss spectrum and its magnetic properties have been studied. Calculations have been done by using Quantum Espresso package which is based on density functional theory and pseudo-potential technique. The static refractive indices of this compound at diffrent x and z directions were calculated 3.66 and 2.55, respectively. The amount of optical band gap, obtained from the imaginary part of dielectric function, was estimated to be 1.45 eV. In addition, bulk plasmon energy, obtained from energy loss spectrum at x and z directions, were obtained to be 17.95 eV and 17.25 eV, respectively.
Type of Study: Research |
Subject:
Electronic and magnetic materials
Received: 2019/03/19 | Accepted: 2019/12/9 | Published: 2020/02/10
Received: 2019/03/19 | Accepted: 2019/12/9 | Published: 2020/02/10
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