نتایج جستجو برای: electronic density of state
تعداد نتایج: 21257002 فیلتر نتایج به سال:
the high pressure behavior of the structural and electronic properties of kc1 is studied with use of the density functional pseudopotential method within local-density approximation. atzero pressure, the rocksalt phase is found to be lower in energy than cscl structure. however, we predict a phase transition into csci structure at a pressure of about 1.5 gpa. the calculated ground state propert...
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
first principle calculations were performed using density functional theory within the local spin density approximation (lsda) to understand the electronic properties of au(100)+tbt system and compare the results with au(100) and bulk au properties. band structure, the total dos and charge density for these materials are calculated. we found that the homo for au(100)+tbt becomes broader than au...
abstract chickpea is weak in competition of weeds that damages to it at between 40 t0 60 percent. kermanshah province is one of the most important region for chickpea fields in iran. for these reosons, weed management is necessary in this crop. in order to evaluate of herbicides and stubble control on broad leave weeds control in chickpea. experiment was conducted in agricultural research stat...
The high pressure behavior of the structural and electronic properties of KC1 is studied with use of the density functional pseudopotential method within local-density approximation. Atzero pressure, the rocksalt phase is found to be lower in energy than CsCl structure. However, we predict a phase transition into CsCI structure at a pressure of about 1.5 GPa. The calculated ground state pro...
in this study, the effects of oleothermal modification on physical and mechanical peroperties of fir wood (abeis sp.) blocks were examined. at first, some blocks of fir wood with 5 × 20 × 120 cm dimensions were prepared. the blocks were treated in soybean oil. the effects of 3 factors such as treatments temperature (180and 200 °c), holding time (12 and 15 h) and initial moisture content of wood...
the geopolitics of afghanistan after september 11, 2001, and its impact on iranian national security
abstract u.s. attack to afghanistan after 9/11 provided opportunities for us who tried to become the dominant power after collapse of ussr and bipolar world. thinkers like fukuyama believed american liberal democrats thought would be universally accepted without resistances. liberal democracy is the best and final model of governance; in this regard, united state has moral responsibilities for...
abstract nowadaysphotovoltaic solar cells (pvs) areacknowledged the fastest growing energy technology in the word, however, they only account for only fraction of current global renewable energy capacity. it isrecognized that this incomplete market penetration has been largely a result of the technology’sexcessive cost. so researchers are trying to find innovative, economic way with theaim of ...
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