Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide
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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | fas |
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Isfahan University of Technology
2020-01-01
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| Series: | Journal of Advanced Materials in Engineering |
| Subjects: | |
| Online Access: | http://jame.iut.ac.ir/article-1-1029-en.html |
| _version_ | 1818948464739876864 |
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| author | H. Salehi N. Zhulayi Bakhoda P. Amiri |
| author_facet | H. Salehi N. Zhulayi Bakhoda P. Amiri |
| author_sort | H. Salehi |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-20T08:47:13Z |
| format | Article |
| id | doaj.art-cd2f6ad71ad34ede8afbbdd45860f43d |
| institution | Directory Open Access Journal |
| issn | 2251-600X 2423-5733 |
| language | fas |
| last_indexed | 2024-12-20T08:47:13Z |
| publishDate | 2020-01-01 |
| publisher | Isfahan University of Technology |
| record_format | Article |
| series | Journal of Advanced Materials in Engineering |
| spelling | doaj.art-cd2f6ad71ad34ede8afbbdd45860f43d2022-12-21T19:46:14ZfasIsfahan University of TechnologyJournal of Advanced Materials in Engineering2251-600X2423-57332020-01-013844350Ab-Initio Study of Optical and Magnetic Properties of Tungsten DisulfideH. Salehi0N. Zhulayi Bakhoda1P. Amiri2 Department of Physics, Faculty of Science, ShahidChamran University of Ahvaz, Ahvaz, Iran. Department of Physics, Faculty of Science, ShahidChamran University of Ahvaz, Ahvaz, Iran. Department of Physics, Faculty of Science, ShahidChamran University of Ahvaz, Ahvaz, Iran. 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.http://jame.iut.ac.ir/article-1-1029-en.htmltungsten disulfidedensity functional theoryoptical properties. |
| spellingShingle | H. Salehi N. Zhulayi Bakhoda P. Amiri Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide Journal of Advanced Materials in Engineering tungsten disulfide density functional theory optical properties. |
| title | Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide |
| title_full | Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide |
| title_fullStr | Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide |
| title_full_unstemmed | Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide |
| title_short | Ab-Initio Study of Optical and Magnetic Properties of Tungsten Disulfide |
| title_sort | ab initio study of optical and magnetic properties of tungsten disulfide |
| topic | tungsten disulfide density functional theory optical properties. |
| url | http://jame.iut.ac.ir/article-1-1029-en.html |
| work_keys_str_mv | AT hsalehi abinitiostudyofopticalandmagneticpropertiesoftungstendisulfide AT nzhulayibakhoda abinitiostudyofopticalandmagneticpropertiesoftungstendisulfide AT pamiri abinitiostudyofopticalandmagneticpropertiesoftungstendisulfide |