Preferred Language
Articles
/
ijp-760
Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
...Show More Authors

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.

View Publication Preview PDF
Quick Preview PDF
Publication Date
Tue Feb 01 2022
Journal Name
Materials Chemistry And Physics
Structural, surface electronic bonding, optical, and mechanical features of sputtering deposited CrNiN coatings with Si and Al additives
...Show More Authors

View Publication
Scopus (5)
Crossref (5)
Scopus Clarivate Crossref
Publication Date
Tue Nov 30 2021
Journal Name
Iraqi Journal Of Science
Large-Coessential and Large-Coclosed Submodules
...Show More Authors

The goal of this research is to introduce the concepts of Large-coessential submodule and Large-coclosed submodule, for which some properties are also considered. Let M  be an R-module and K, N are submodules of M such that , then K is said to be Large-coessential submodule, if . A submodule N of M is called Large-coclosed submodule, if K is Large-coessential submodule of N in M, for some submodule K of N, implies that  .

View Publication Preview PDF
Scopus (3)
Crossref (1)
Scopus Crossref
Publication Date
Tue Nov 30 2021
Journal Name
Iraqi Journal Of Science
Large-Coessential and Large-Coclosed Submodules
...Show More Authors

The goal of this research is to introduce the concepts of Large-coessential submodule and Large-coclosed submodule, for which some properties are also considered. Let M  be an R-module and K, N are submodules of M such that , then K is said to be Large-coessential submodule, if . A submodule N of M is called Large-coclosed submodule, if K is Large-coessential submodule of N in M, for some submodule K of N, implies that  .

Scopus (3)
Crossref (1)
Scopus Crossref
Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Relative intensity distribution in the rotational structure for B1Σ+- A1Π and B1Σ+- X1Σ+ electronic systems of BeO molecule
...Show More Authors

Theoretical spectroscopic study of  Beryllium Oxide has been carried out, Boltzmann distribution of P, Q and R branches in the range of (0<J<13) at temperature 4200K for (0-0) band for electronic transitions B1Σ+-A1Π and B1Σ-X1Σ. The Boltzmann distribution of these branches has a maximum values at equal J approximately while the values of relative population are different. For the B1Σ+- X1Σ+ transition the branch's lines extend towards lower wavenumber. This is because (Bv'-Bv") value is negative, i.e  Bv'< Bv" For B1Σ+-A1Π

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Wed Jan 01 2020
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees20
Opto- electrical properties of p-SnSe:S/N-Si heterojunction for solar cell application
...Show More Authors

View Publication
Scopus (3)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Wed Jul 05 2023
Journal Name
Chalcogenide Letters
Optimization physical properties of CdTe /Si solar cell devices fabricated by vacuum evaporation
...Show More Authors

We investigated at the optical properties, structural makeup, and morphology of thin films of cadmium telluride (CdTe) with a thickness of 150 nm produced by thermal evaporation over glass. The X-ray diffraction study showed that the films had a crystalline composition, a cubic structure, and a preference for grain formation along the (111) crystallographic direction. The outcomes of the inquiry were used to determine these traits. With the use of thin films of CdTe that were doped with Ag at a concentration of 0.5%, the crystallization orientations of pure CdTe (23.58, 39.02, and 46.22) and CdTe:Ag were both determined by X-ray diffraction. orientations (23.72, 39.21, 46.40) For samples that were pure and those that were doped with

... Show More
View Publication
Scopus (5)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Study of the Nuclear Structure of some Neutron Rich Si Isotopes Using Shell Model with Skyrme Interaction
...Show More Authors

  Abstract

      The nuclear structure of 28-40Si isotopes toward neutron dripline has been investigated in framework of shell model with Skyrme-Hrtree-Fock method using certain Skyrme parameterizations. Moreover, investigations of static properties such as nuclear densities for proton, neutron, mass, and, charge densities with their corresponding rms radii, neutron skin thicknesses, binding energies, separation energies, shell gap, and pairing gap have been performed using the most recent Skyrme parameterization. The calculated results have been compared with available experimental data to identify which of these parameterizations introduced equivalent results with the ex

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Mon May 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculations of Rate Constant of Electron Transfer Across N3/TiO2 Sensitized Dye Interface Solar Cell
...Show More Authors

 The rate of electron transfer from N3 sensitized by dye to TiO2 semiconductor in variety solvent have been calculated as a function of reorientation energy effective free energy , volume of semiconductor , attenuation and lattice constant of semiconductor .       A very strong dependence of the electron transfer rate constant on the reorientation and effective free energy .Results of calculation indicate that TiO2 is available to use with N3 dye .Our calculation results show that a good agreement with experimental result

View Publication Preview PDF
Publication Date
Sun Jan 06 2019
Journal Name
Progress In Industrial Ecology – An International Journal,
Effect of V, In and Cu doping on properties of p-type ZnSe/Si heterojunction solar cell
...Show More Authors

The enhancement of ZnSe/Si Heterojunction by adding some elements (V, In and Cu) as impurities is the main goal because they contribute to the manufacturing of renewable energy equipment, such as solar cells. This paper describes the preparation of thin films ZnSe with V, In and Cu doped using thermal evaporation method with a vacuum of 10–5 Torr. The thin film was obtained from this work could be applied in heterojunction solar cell because of several advantages including high absorption coefficient value and direct band gap. The samples prepared on a glass and n-type Si wafer substrate. These films have been annealed for 1 h in 450 K. X-ray diffraction XRD results indicated that ZnSe thin film possesses poly-crystalline structure after

... Show More
View Publication
Publication Date
Tue Jan 01 2019
Journal Name
Progress In Industrial Ecology, An International Journal
Effect of V, In and Cu doping on properties of p-type ZnSe/Si heterojunction solar cell
...Show More Authors

View Publication
Scopus (14)
Crossref (13)
Scopus Crossref