Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1) compared to experimental 0.035 eV (285.2 cm-1). Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å). Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.
In the present work, the focusing was on the study of the x-ray diffraction, dielectric constant, loses dielectric coefficient, tangent angle, alter- natively conductivity and morphology of PET/BaTio3. The PET/BaTio3 composite was prepared for polyethylene terephthalate PET polymer composite containing 0, 10, 20, 30, 40, 50, and 60 wt. % from Barium titanate BaTi03 powder. The composite of two materials leads to form mixing solution and hot-pressing method. The effect of BaTio3 on the structure and dielectric properties with morphology was studied on PET matrix polymer using XRD, LCR meter and SEM.
A thermal evaporation technique was used to prepare ZnO thin films. The samples were prepared with good quality onto a glass substrate and using Zn metal. The thickness varied from (100 to 300) ±10 nm. The structure and optical properties of the ZnO thin films were studied. The results of XRD spectra confirm that the thin films grown by this technique have hexagonal wurtzite, and also aproved that ZnO films have a polycrystalline structure. UV-Vis measurement, optical transmittance spectra, showed high transmission about 90% within visible and infrared range. The energy gap is found to be between 3.26 and 3.14e.V for 100 to 300 nm thickness respectivly. Atomic Force Microscope AFM (topographic image ) shows the grain size incre
... Show MoreZinc Oxide transparent thin films (ZnO) with different thickness from (220 to 420)nm
±15nm were prepared by thermal evaporation technique onto glass substrates at 200 with
the deposition rate of (10 2) nm sec
-1
, X-ray diffraction patterns confirm the proper phase
formation of the material. The investigation of (XRD) indicates that the (ZnO) film is
polycrystalline type of Hexagonal and the preferred orientation along (002) plane. The Optical
properties of ZnO were determined through the optical transmission method using ultraviolet-visible spectrophotometer with wavelength (300 – 1100) nm. The optical band gap values of
ZnO thin films were slightly increased from (2.9 - 3.1) eV as the film thickn
In the current study, we investigate the effect of (La) substitution instead of (Cu) on the properties of the superconductor compound (Bi2Sr2Ca2Cu3-xLaxO10+δ) with (x=0,0.05,0.1,0.15,0.2). The samples were prepared by solid state reaction method(SSR). Xray diffraction technique (XRD) was used to estimate the structural properties of the specimens which show an orthorhombic crystalline structure for all the specimens. The results show that the change in ( La) concentration leads to decrease the concentration of (Bi-2223), increment in (Bi-2212 ) and(Bi-2201) with appearance of some impurities. Also decrease the critical temperature(Tc) with the increase
... Show MoreThe eff ect of partial substitution for lanthanum (La) on the structural properties of the compound Y1-xLaxBa4Cu7O15+δ were studied. The variation of (x) are x=0.1, 0.2 and 0.3, which was synthesized by solid state reaction method. The mixed powder was pressed with pressure (7 ton / cm2) as a disc (1.5 cm) diameter and a thickness of (0.25 to 0.3 cm). The samples were sintering by 120 °C / hour with a changing rate from room temperature to 850 ° C through 72 hours. XRD analysis using to calculate crystal size, strain and degree of crystallinity. It was found all samples have orthorhombic structure and change of structure with increasing lanthanum concentration. It was shown that the change lanthanum concentrations of all our samp
... Show MoreAlO-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
... Show MoreAbstract : Tin oxide SnO2 films were prepared by atmospheric chemical vapor deposition (APCVD) technique. Our study focus on prepare SnO2 films by using capillary tube as deposition nozzle and the effect of these tubes on the structural properties and optical properties of the prepared samples. X-ray diffraction (XRD) was employed to find the crystallite size. (XRD) studies show that the structure of a thin films changes from polycrystalline to amorphous by increasing the number of capillary tubes used in sample preparation. Maximum transmission can be measured is (95%) at three capillary tube. (AFM) where use to analyze the morphology of the tin oxides surface. Roughness and average grain size for different number of capillary tubes have b
... Show MoreSome of structural ,and electrical properties of pure and zinc (Zn) doped cadmium telluride thin films with impurity percentages (0.5, 1, 1.5)%, deposited on hot glass substrate (temperature equals to 423K) of thickness of 300nm and rate deposition of 0.5 nm.s-1 by thermal co-evaporation technique under vacuum of (2×10-5)Torr have been investigates. The structural properties for the prepared films were studied before and after. doping process by analysis of the X-ray diffraction, and it appeared that pure and dopant CdTe thin films are polycrystalline and have the cubic structure with preferential orientation in the [111] direction, and the crystal structure of the films were improved due to doping process. From d.c
... Show MoreQuantum 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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