نتایج جستجو برای: energy gap e

تعداد نتایج: 1765474  

1987
M. KAROWSKI

Integrable theories on the lattice having zero energy gap exhibit conformal invariance for long distances. It is shown here how to extract its conformal properties (central charge e and scaling dimensions) from the Bethe ansatz equations. The methods here exposed are applied to the six-vertex model and to the critical Potts model.

Clusters play important role for understanding and transferring microscopic to macroscopic properties.Geometric and electron properties of Small nickel clusters up to the tetramer has been investigated by Density Functional Theory (DFT). Raising the number of nickel clusters atoms were indicated decreasing the average equilibrium (Ni-Ni) distance of atoms and also the binding energy of per atom...

In this research, the optical properties of tungsten disulfide including dielectric function, the static refractive index, the imaginary part of the dielectric function, optical band gap, energy loss spectrum and its magnetic properties have been studied. Calculations have been done by using Quantum Espresso package which is based on density functional theory and pseudo-potential technique. The...

2015

Solar energy is a good option among renewable energy resources due to its easy availability and abundance. The simplest and most efficient way to utilize solar energy is to convert it into thermal energy and this can be done with the help of solar collectors. The thermal performance of such collectors is poor due to less heat transfer from the collector surface to air. In this work, experimenta...

Journal: :The Journal of chemical physics 2009
M Yu I Chaudhuri C Leahy S Y Wu C S Jayanthi

Structures and relative stabilities of carbon clusters belonging to different families have been investigated for diameters d < or = 5 nm based on an efficient semiempirical molecular dynamics (MD) scheme as well as a density functional theory based simulation. Carbon clusters studied include fullerenes and fullerene-derived structures (e.g., cages and onions), icosahedral structures, bucky-dia...

2002
A. S. Ferlauto G. M. Ferreira J. M. Pearce C. R. Wronski R. W. Collins Xunming Deng Gautam Ganguly

We have developed a Kramers–Kronig consistent analytical expression to fit the measured optical functions of hydrogenated amorphous silicon (a-Si:H) based alloys, i.e., the real and imaginary parts of the dielectric function (e1 ,e2) ~or the index of refraction n and absorption coefficient a! versus photon energy E for the alloys. The alloys of interest include amorphous silicon–germanium (a-Si...

Journal: :Progress of Theoretical Physics 1972

Journal: :Biomedical and environmental sciences : BES 2008
Guang-Hua Lu Chao Wang Xiao-Ling Guo

OBJECTIVE To measure the toxicity of phenol, aniline, and their derivatives to algae and to assess, model, and predict the toxicity using quantitative structure-activity relationship (QSAR) method. METHODS Oxygen production was used as the response endpoint for assessing the toxic effects of chemicals on algal photosynthesis. The energy of the lowest unoccupied molecular orbital (E(LUMO)) and...

Journal: :Physical review letters 2003
C Timm F Schäfer F Von Oppen

electron energy relative to the valence band top for x 0:05, averaged over 100 configurations of 200 Mn impurities (dark gray area). The light gray bar denotes the GaAs gap. The dashed line shows the Fermi energy for p 0:1. Inset: Average Mn (positive) and hole (negative) spin polarizations for the same parameters. The dotted curves have been obtained with overlap matrix elements t r > 0 as in ...

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