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.
Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
In this work, we are Study the effect of annealing temperature on the structure of a-Ge films doped with Sb and the electrical properties of a-Ge:Sb/c-Si heterojunction fabricated by deposition of a-Ge:Sb film on c-Si by using thermal evaporation. Electrical properties of aGe:Sb/c-Si heterojunction include I-V characteristics in dark at different annealing temperatures and C-V characteristics and with the C-V characteristics suggest that the fabricated heterojunction was abrupt type, built in potential determined by extrapolation from 1/C2-V curve and show that the built - inpotential (Vbi) for the Ge:Sb/Si system increases with the increase of annealing temperatures
A nanocrystalline thin films of PbS with different thickness (400, 600)nm have been prepared successfully by chemical bath deposition technique on glass and Si substrates. The structure and morphology of these films were studied by X-ray diffraction and atomic force microscope. It shows that the structure is polycrystalline and the average crystallite size has been measured. The electrical properties of these films have been studied, it was observed that D.C conductivity at room temperature increases with the increase of thickness, From Hall measurements the conductivity for all samples of PbS films is p-type. Carrier's concentration, mobility and drift velocity increases with increasing of thickness. Also p-PbS/n-Si heterojunction has been
... Show MoreThis research including, CO3O4 was prepared by the chemical spry pyrolysis, deposited film acceptable to assess film properties and applications as photodetector devise, studying the optical and optoelectronics properties of Cobalt Oxide and effect of different doping ratios with Br (2, 5, 8)%. the optical energy gap for direct transition were evaluated and it decreases as the percentage Br increase, Hall measurements showed that all the films are p-type, the current–voltage characteristic of Br:CO3O4 /Si Heterojunction show change forward current at dark varies with applied voltage, high spectral response, specific detectivity and quantum efficiency of CO3O4 /Si detector with 8% of Br ,was deliberate, extreme value with 673nm.
... Show MoreThe status of the semi total stoppage and non-use and waste of economic made studying and analyzing Dutch disease of high importance because it is a major cause in aggravation of this status which happened to the Iraqi economy in almost complete way and the relative big importance that oil source has and its domination on the largest percentage in the gross domestic product and exports that Iraqi economy is relying largely in funding the national budget made the concentration of the study on this subject an important and necessary within the important economic events that Iraqi economy witnessed after 2003 till 2016 to give a clear and an overall picture of the reality of the unilateral Iraqi economy under the status of semi tota
... Show MoreThe development of better tools for diagnosis and more accurate prognosis of cancer includes the search for biomarkers; molecules whose presence, absence or change in quantity or structure is associated with a particular tumour or prognosis/therapeutic outcome. While biomarkers need not be functionally relevant, if cell survival, then they could also provide new targets for therapeutic drugs. In recent years attention has been applied to a group of proteins known as cancer testis antigens (CT antigens) [1]. These proteins are products of genes whose expression was normally confined to the testis, yet they are expressed in tumour cells. CT genes are bound to serve a wide array of roles in the testes, which have many highly differentiated cel
... Show MoreStrategy Descrtibes How an Organization Matches its own Capabilites With Opportunities in Environment , in Order to Accomplish its Overall Objectives , So That The Organization is Considering Responding to Challenges by Adopting one or More of Strategies, Like Differentioning its Product, or Achieving Cost Leadership.
The Key Role of Management Accountant is to Evlaute The Successful it Has Been in Implementing Organization Strategy.
This Research Target to Explain The Key Role of Management Accountant in Evaluate of Organization Strategy. by Strategic Analysis of Operating Income From Specific Sources Such as Cost Savings and Growth in Stead of Emphasizing Only The Aggrega
... Show MoreIn this research, the X-ray diffraction pattern was used, which was obtained experimentally after preparation of barium oxide powder. A program was used to analyze the X-ray diffraction lines of barium oxide nanoparticles, and then the particle size was calculated by using the Williamson-Hall method, where it was found that the value of the particle size is 25.356 nm. Also, the dislocation density was calculated, which is equal to1.555 x1015 (lines/nm2), and the value of the unit cell number was also calculated, as it is equal to 23831.
Vegetable sold oils (fat of the plant) were studied spectroscopy to determine its properties when it heating more than once, in this study the number of heating was 20 times and show the fat of the plant has been greatly affected by the heat. Aluminum and stainless steel were adopted for heating purposes. It turns out that the quality of the heating pot affects the spectrum specification. Changing the registered spectrum specifications for vegetable fat means a change in the characteristics of the same substance, which makes cooking use a second time with risks. Results were re-examined after six months showing significant risk of storage after heating to 300 oC the study proved that the structure of heating the vegetable oils changes an
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