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Thermo-elastic and optical properties of molybdenum nitride
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This contribution aims to investigate volume-dependent thermal and mechanical properties of the two most studied phases of molybdenum nitride (c-MoN and h-MoN) by means of the quasi-harmonic approximation approach (QHA) via first-principles calculations up to their melting point and a pressure of 12 GPa. Lattice constants, band gaps, and bulk modulus at 0 K match corresponding experimental measurements well. Calculated Bader’s charges indicate that Mo–N bonds exhibit a more ionic nature in the cubic MoN phase. Based on estimated Gibbs free energies, the cubic phase presents thermodynamic stability higher than that detected for hexagonl, with no phase transition observed in the selected T–P conditions as detected experimentally. The elastic stiffness coefficients of MoN in hexagonal structure revealed that it is stable elastically; in contrast to the cubic structure. The temperature dependence on the bulk modulus is more profound on the dense cubic phase than on the hexagonal phase. Overall, the two considered structures of molybdenum nitride display very minimal harmonic effects, evidenced by the slight variation of thermal and mechanical properties with the increase of pressure and temperature. The optical conductivity of both phases near a zero photon energy coincides well with their metallic character inferred by their corresponding DOS curves. It is expected that the thermo-elastic properties of saturated molybdenum nitrides reported in this study will aid in the continuous pursuit to enhance their catalytic and mechanical utilizations.

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Publication Date
Tue Nov 01 2022
Journal Name
Chemical Methodologies
Study of Optical and Structural Properties of CdTe Quantum Dots Capped with 3MPA Using Hydrothermal Method
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Quantum dots (QDs) can be defined as nanoparticles (NPs) in which the movement of charge carriers is restricted in all directions. CdTe QDs are one of the most important semiconducting crystals among other various types where it has a direct energy gap of about 1.53 eV. The aim of this study is to exaine the optical and structural properties of the 3MPA capped CdTe QDs. The preparation method was based on the work of Ncapayi et al. for preparing 3MPA CdTe QDs, and hen, the same way was treated as by Ahmed et al. via hydrothermal method by using an autoclave at the same temperature but at a different reaction time. The direct optical energy gap of CdTe QDs is between 2.29 eV and 2.50 eV. The FTIR results confirmed the covalent bonding betwee

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Scopus (5)
Scopus
Publication Date
Fri Jan 01 2016
Journal Name
Journal Of Multidisciplinary Engineering Science Studies (jmess)
Doping Ratio Of Silver Dependent On The Structure And Optical Properties Of Thin Cadmium Telluride Films
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Publication Date
Fri Jan 01 2016
Journal Name
World Scientific News
Effect of annealing temperature on the structural and optical properties of CdSe: 1% Ag thin films
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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Impact of Aluminum Oxide Content on the Structural and Optical Properties of ZnO: AlO Thin Films
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AlO-doped ZnO nanocrystalline thin films from with nano crystallite size in the range (19-15 nm) were fabricated by pulsed laser deposition technique. The reduction of crystallite size by increasing of doping ratio shift the bandgap to IR region the optical band gap decreases in a consistent manner, from 3.21to 2.1 eV by increasing AlO doping ratio from 0 to 7wt% but then returns to grow up to 3.21 eV by a further increase the doping ratio. The bandgap increment obtained for 9% AlO dopant concentration can be clarified in terms of the Burstein–Moss effect whereas the aluminum donor atom increased the carrier's concentration which in turn shifts the Fermi level and widened the bandgap (blue-shift). The engineering of the bandgap by low

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Publication Date
Thu Dec 01 2022
Journal Name
Iraqi Journal Of Physics
Elastic Form Factors and Matter Density Distributions of Some Neutron-Rich Nuclei
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The ground-state properties of exotic 18N and 20F nuclei, including the neutron, proton and matter densities and related  radii are investigated using the two-body model of   within Gaussian (GS) and Woods Saxon (WS) wave functions. The long tail is evident in the computed neutron and matter densities of these nuclei. The plane wave Born approximation (PWBA) is  calculate the elastic form factors of these exotic nuclei. The variation in the proton density distributions due to the presence of the extra neutrons in 18N and 20F leads to a major difference between the elastic form factors of these exotic nuclei and their stable isotopes 14N and 19F. The reaction c

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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Radiation Effect on the Optical& Structural Properties of CdTe: Zn thin Films
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The Films of CdTe:Zn were prepared on a glass by using vacuum vapor deposition technique .The x-ray diffraction pattern revealed that the films have polycrystalline with FCC structure and the preferred orientation was along (111) plane.  The films were exposed to a low dose of gamma ray.(5µCi for 30 days) Transmission and absorptance spectra were recorded in the range of (400-1100) nm before and after irradiation. It was found that irradiation has a clear effect on the optical and structural properties which include the transmition and absorption spectra, extinction coefficient, refractive index, and the energy gap.

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Nonlinear optical properties of synthesized porous nanostructures PMMA via template-directed methods
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Colloidal crystals (opals) made of close-packed polymethylmethacrylate (PMMA) were fabricated and grown by Template-Directed methods to obtain porous materials with well-ordered periodicity and interconnected pore systems to manufacture photonic crystals. Opals were made from aqueous suspensions of monodisperse PMMA spheres with diameters between 280 and 415 nm. SEM confirmed the PMMA spheres crystallized uniformly in a face-centered cubic (FCC) array. Optical properties of synthesized pores PMMA were characterized by UV–Visible spectroscopy. It shows that the colloidal crystals possess pseudo photonic band gaps in the visible region. A combination of Bragg’s law of diffraction and Snell’s law of refraction were used to calculate t

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Publication Date
Thu Oct 14 2021
Journal Name
Iraqi Journal Of Physics
Investigation of nonlinear optical properties for laser dyes-doped polymer thin film
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Solutions of dyes Rhodamine 6G (Rh6G) and Coumarin480(C480) were prepared at five concentrations (1x10-3, 5x10-4, 1x10-4, 5x10-5 and1x10-5) mol/l, the mixing was stirred to obtain on a homogenous solution, the(poly methyl-methacrylate) (PMMA) was solved by chloroform solvent with certain ratio, afterward (PMMA+Rh6G) and (PMMA+C480) thin films were prepared by casting method on glass block which has substrate with dimensions (7.5 x2.5)cm2, the prepared samples were left in dark place at room temperature for 24 hours to obtain uniform and homogenous thin films. UV-VIS absorption spectra, transmission spectra and fluorescence spectra were done to measure linear refractive index and linear absorption coefficient. The nonlinear optical proper

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Publication Date
Wed Aug 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical Properties & Structural of Dioxide Thin Films Prepared by Chemical Spray Pyrolysis
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 X-ray diffraction pattern reveled the tetragonal crystal system of SnO2  Thin films of SnO2 were prepared on glass substrates using Spray Pyrolysis Technique. The absorption and transmition spectra were recorded in the rang of 300-900nm,  the   spectral   dependences   of   absorption coefficient were calculated   from   transmission spectra. The direct and allowed optical  energy gap has been evaluated from plots of   (αhÏ…)²  vs. (hÏ…) . The energy gap was found to be  2.4-2.6eV.  The optical constant such as extinction coefficient( k )  and absorption coefficient ( α) have been evaluated. 

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Publication Date
Tue Oct 30 2018
Journal Name
Iraqi Journal Of Physics
Optical properties of ZnO/MgF2 bilayer thin films prepared by PVD technique
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Zinc Oxide (ZnO) is considered as one of the best materials already used as a window layer in solar cells due to its antireflective capability. The ZnO/MgF2 bilayer thin film is more efficient as antireflective coating. In this work, ZnO and ZnO/MgF2 thin films were deposited on glass substrate using pulsed laser deposition and thermal evaporation deposition methods. The optical measurements indicated that ZnO thin layer has an energy gap of (3.02 eV) while ZnO/MgF2 bilayer gives rise to an increase in the energy gap. ZnO/MgF2 bilayer shows a high energy gap (3.77 eV) with low reflectance (1.1-10 %) and refractive index (1.9) leading to high transmittance, this bilayer could be a good candidate optical material to improve the performance

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