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Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
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Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.

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Publication Date
Sat May 01 2021
Journal Name
Key Engineering Materials
Influence of Cu Dopant on SnS Thin Films Characterization and Enhance Efficiency of p-SnS:Cu /n-Si Solar Cell
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Thin films Tin sulfide SnS pure and doped with different ratios of Cu (X=0, 0.01, 0.03 and 0.05) were prepared using thermal evaporation with a vacuum of 4*10-6mbar on two types of substrates n-type Si and glass with (500) nm thickness for solar cell application. X-ray diffraction and AFM analysis were carried out to explain the influence of Cu ratio dopant on structural and morphological properties respectively. SnS phase appeared forming orthorhombic structure with preferred orientation (111), increase the crystallinity degree and surface roughness with increase Cu ratio. UV/Visible measurement revealed the decrease in energy gap from 1.9eV for pure SnS to 1.5 for SnS: Cu (0.05) making these samples suitable f

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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
On Large-Small submodule and Large-Hollow module
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Abstract<p>The goal of this research is to introduce the concepts of Large-small submodule and Large-hollow module and some properties of them are considered, such that a proper submodule N of an R-module M is said to be Large-small submodule, if N + K = M where K be a submodule of M, then K is essential submodule of M ( K ≤<sub>e</sub> M ). An R-module M is called Large-hollow module if every proper submodule of M is Large-small submodule in M.</p>
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Publication Date
Sun Nov 10 2019
Journal Name
Journal Of Engineering And Applied Sciences
Fabrication and Properties of Ag<sub>2</sub>O/Si Heterojunction Solar Cell Pure and Doped (Sb, Sn and Se)
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Publication Date
Tue Jan 01 2019
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees19gr
I-V characteristics of n-Si /ZnO/Se/MWCNTs nanocomposite solar cell fabricated by solvothermal technique
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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Density functional theory study of molecular structure, Electronic properties, UV–Vis spectra on coumarin102.
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The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in methanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, and dipole moment were measured. We find good agreement between experimental data of UV spectrum and

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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
Study of optical properties for Ge - GaAs Heterojunction
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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Comparison I-V Characteristics of Sb/c-Si and Al/c-Si Junction
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  Hetero junctions are fabricated by depositing antimony (Sb) and Al films on n-type single crystal(c-Si) wafers by the method of vacuum evaporation with thickness (0.25µm), with rate of deposition equals to 2.77 Ã…/sec, all samples are annealed in a vacuum for one hour at 473K. The tests have shown that all the films have polycrystalline structure for all Sb films. The barrier heights in (Sb/c-Si) junction was found to be equal 0.825eV, but(Al/c-Si) junction ohmic contact. Current-voltage measurements confirm this behaviour.

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Publication Date
Thu Dec 28 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Effect of Annealing Temperature on the Optical Properties of the a-Ge: As Thin Films
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a-Ge: As thin films have prepared by thermal evaporation teclmique, then they were annealing at various temperatures within the

range (373-473)  K.   The  result of  X-ray di ffraction spectrum  was showing  that  all  the  specimens  remained  in  amorphous structure before and after annealing  process. This paper studied the effect of annealing  temperature as  a  function of  wavelength on  the optical energy gap and optical constants for the a-Ge:As thin  films . Results have showed that there was an increasing in the optical energy gap

{Egopt) values with the in ,;rcasing of the annealing temperatures within

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Publication Date
Sat Mar 01 2008
Journal Name
Iraqi Journal Of Physics
Influence of Gold Concentration on the Main Detection Parameters of Ge-Au Photoconductive Detector
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Ge-Au infrared photoconductive detection was prepared from germanium single crystal which were doped with different gold concentration using thermal evaporation. The spectral resonsivity (Rλ), spectral detectivity (D*) were determined as function of wavelength, also the resistance, conductivity in dark and with illumination to infrared radiation, the gain and relative photo response have been measured with different gold concentration. Remarkable improvements in the photoresponse gain were observed for the highest resistance specimen at the expense of spectral detectivity values.

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Publication Date
Sat Jan 20 2024
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Effect of Partial Substitution of Ge-S-Cd Alloys on the Density of Energy States
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Five samples of the ternary alloy Ge-S-Cd were created using the melting point method, and the effects of partially substituting cadmium for germanium were determined. and partial substitution of germanium by cadmium was used to study the change in electrical conductivity. Electrical experiments were performed on Ge35-xS65Cdxternary alloy with x = 0, 5, 10, 15, and 20. It was discovered that the conductivity (σdc) rises with rising temperature in all samples under experiment. This confirms that the samples have semiconductor behavior. It has been observed that there are three regions of electrical conductivity in the electrical conductivity curve at low, moderate, and high temperatures. The pr

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