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dc.contributor.author |
Guetitni, Sabrine |
|
dc.date.accessioned |
2023-11-23T08:57:11Z |
|
dc.date.available |
2023-11-23T08:57:11Z |
|
dc.date.issued |
2023 |
|
dc.identifier.uri |
http://dspace.univ-guelma.dz/jspui/handle/123456789/14991 |
|
dc.description.abstract |
In this master’s thesis, we calculated the structural, electronic and
Diachalcogenide transition metal optics in its two-dimensional (2D)
form. THE calculations were performed by simulation using the VASP
code, which uses the Density Functional theory (DFT), in the Gene-
ralized Gradient Approximation (GGA) of exchange-correlation po-
tential for their two parametrization PBE and HSE06. MoSe2 and
WSe2 has been experimentally exfoliated from its crystalline three-
dimensional form . We theoretically calculated the lattice parameter
a of our two-dimensional structure and we showed that it agrees with
the experimental parameter. For the electronic properties, we calcula-
ted the band structures, the total and partial density of states. we
showed in particular that our material is a direct gap semiconductor.
Due to their gap energy, the materials are useful in the photovoltaic
field. Finally, we studied the optical properties of our material for in-
cident photons. We have calculated the real and imaginary parts of
the dielectric function as well as their absorbance. |
en_US |
dc.language.iso |
fr |
en_US |
dc.publisher |
University of Guelma |
en_US |
dc.subject |
Matériau 2D, les sources optiques de nouvelle génération |
en_US |
dc.title |
Matériau 2D pour les sources optiques de nouvelle génération |
en_US |
dc.type |
Working Paper |
en_US |
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