نتایج جستجو برای: electronic density of state
تعداد نتایج: 21257002 فیلتر نتایج به سال:
in present work, we have calculated the electronic properties including density of states (dos) and electron density for gan, inn and in wurtzite phase for x=0.5. the study is based on density functional theory (dft) with full potential linearized augmented plane wave method (fp-lapw) by generalized gradient approximation (gga-pbesol) for calculating electronic properties. in this report we con...
An analytical equation of state has been previously modified by Papari et al. for representing the volumetric properties of molecular fluids. However the performance of that EOS has not been yet well investigated for refrigerant fluids. This study extended that equation to 19 liquid refrigerants to predict their densities at isothermal and saturated states. Two temperature-independent parameter...
in this work we have applied the dense system equation of state (dseos) to electrolyte solutions. we have found that this equation of state can predict the density of electrolyte solutions very accurately. it has been tested for different electrolytes solutions at different temperatures and compositions. a hypothetical binary model has been applied to find the dependencies of parameters of this...
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...
چکیده ندارد.
magnetic resonance imaging (mri) is a notable medical imaging technique that makes of phenomenon of nuclear magnetic resonance. because of the resolution and the technology being harmless, mri has considered as the most desirable imaging technique in clinical applications. the visual quality of mri plays an important role in accuracy of medical delineations that can be seriously degraded by exi...
The electronic structure near a single classical magnetic impurity in a superconductor is determined using a fully self-consistent Koster-Slater algorithm. Localized excited states are found within the energy gap which are half electron and half hole. Within a jellium model we find the new result that the spatial structure of the positive-frequency (electron-like) spectral weight (or local dens...
the main aim of this research is to survey deeply into the quality of electronic services offered by a selected group of state-owned banks in fars province by using bsc and fuzzy logic theory and to give some solutions to improve their services. therefore, the factors for assessing the electronic services were identified in research literature and were locate in bsc approach according to the ex...
In this paper, we have simulated the physical properties of BaMnxMo1-xO3 (x=0, 0.5, 1) perovskite compound by the density functional theory and Hubbard model, using the Espersso code. To calculate the exchange-correlation potential in the Kohn Sham equations, the generalized gradient approximation (GGA) has been used. Also, because the calculated results indicate that U parameter plays a vital...
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