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.
The diversity of cultures is still the title of an Iraqi specificity that gave the society a diversity and this is reflected in the journalistic reality with the changing of the political system generate a new political and ideological life that differs from what is prevailed during the decades. However, its exacerbation of the degree of division is an additional duty for the press as a cultural platform and a knowledge bridge that contributes to the process of dialogue, addressing the differences, establishing a politically homogeneous structure through the state and socially by uniting all components of society and working to raise public awareness of the importance of national belonging to build a modern state. Cultural diversity is a
... Show MoreIn the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.
The Mandaean religion of ancient and important religions in Iraq and Iran has its own rituals which are characterized by the use of singing and toning of speech. It began with the creation of human beings through a group of prophets. Peace be upon them. Researcher research problem, and explained the importance of research and objectives and limits and identify terminology. The second topic is the theoretical framework to include the history of the Sabean Mandaean, secondly their religious rites, sources, major books and secondary books for the Latin tribes of Mandaean. Finally, the researcher tackled the sources of their sacred books and previous studies. The third topic represented the procedures. The researcher dealt with the musical a
... Show MoreIn this research, thin films of CdO: Mg and n-CdO: Mg/ p-Si heterojunction with thickness (500±50) nm have been deposited at R.T (300 K) by thermal evaporation technique. These samples have been annealed at different annealing temperatures (373 and 473) K for one hour. Structural, optical and electrical properties of {CdO: Mg (1%)} films deposited on glass substrate as a function of annealing temperature are studied in detail. The C-V measurement of n-CdO: Mg/ p-Si heterojunction (HJ) at frequency (100 KHz) at different annealing temperatures have shown that these HJ were of abrupt type and the builtin potential (Vbi) increase as the annealing temperature increases. The I-V characteristics of heterojunction prepared under dark case at
... Show MoreExtended calculations for sputtering yield through bombed Iron – target by ( H,D ,T ,He ) ions plasma are accomplished .The calculations include changing the input parameters : the energy of ( H,D ,T ,He ) ions plasma, the hit target angle of Iron, change atomic mass of incident ion. The program TRIM is used to accomplish these calculations. The results show that sputtering yield is directly dependent on these parameters. It can change the incident angle of ( H,D ,T ,He ) ions and energy&n
... Show MoreElectronic properties including (bond length, energy gap, HOMO, LUMO and density of state) as well as spectroscopic properties such like infrared, Raman scattering, force constant, reduced mass and longitu- dinal optical mode as a function of frequency are based on size and concentration of the molecular and nanostructures of aluminum nitride ALN, boron nitride BN and AlxB7-XN7 as nanotubes has calculated using Ab –initio approximation method dependent on density functional theory and generalized gradient approximation. The geometrical structure are calculated by using Gauss view 05 as a complementary program. Shows the energy gap of ALN, BN and AlxB7-XN7 as a function of the total number of atoms , start from smallest molecule to reached
... Show MoreThe aim of this research is to identify the availability of quality standards for the websites of the Palestinian TV channels and to provide an assessment of the quality standards used by the websites of TV Channels web sites in general and Palestinian TV channels in particular. Through the use of the method of media survey method descriptive methods, and the research has reached the difference in the application of quality standards for TV Channels sites in the web sites of Palestinian TV Channels, and the development of language of visual communication for the design of those sites in exchange for the lack of access to those sites of the technical possibilities that is Provided by the Internet.
Pure and doped barium titanate with Mg2+ ion at two molar ratios x= (5%, 10%) mol. has been synthesized by solid state reaction technique. The powders sintered at two temperatures (1000 °C and 1400 °C). An XRD technique was used in order to study the crystal structure of pure and doped barium titanate, which confirmed the formation of the tetragonal phase of BaTiO3, and then calculate the lattice parameters of pure and doped barium titanate, the addition of magnesium ion Mg2+ can lead to decreases lattice parameters.