نتایج جستجو برای: energy bond gap

تعداد نتایج: 852533  

Journal: :Physica B: Condensed Matter 1995

2008
Y. L. Lee Y. W. Lee C. - Y. Mou

Two-leg t − J ladders are investigated in the framework of a combination of the phase string formulation and bond-operator representation. We develope a mean-field theory in the strong rung interaction regime, i.e. J ⊥ ≫ J, t, which provides a unified description of the undoped insulating phase and the low doping phase — the so-called C1S0 phase. Both of them are characterized by the resonating...

Journal: :Engineering and scientific international journal 2022

In present investigation, single crystals of cobalt tartrate were grown by using silica gel as a growth medium. These simple technique diffusion method. The optimum conditions for these optimized varying various parameters. circular shaped, opaque and brown colored observed. crystalline nature crystal was confirmed powder X-ray diffraction which shows that hydrate has crystallized in orthorhomb...

In the present study, the presence of brass mesh on the bond strength of aluminum (AA1050) strips in the cold roll bonding process was investigated. The influence of various process parameters including reduction in thickness, pre-rolling annealing, initial thickness of the strips, and post-rolling annealing was also considered. After cold roll bonding process, peeling test was carried out and ...

ربانی, حسن, مردانی, محمد, مقبل, سمانه,

In this paper, the electronic transport of a graphene nanoribbon including a bond defect as well as a polyacetylene nanowire, including an extra bond, has been studied based on Green's function technique at the tight-binding approach. The results show that the behavior of electronic conductance is different in resonance and nonresonance cases with respect to variation of bond defect position. T...

Background and Aim: This study aimed to evaluate the effect of repeated bonding by self-etching primers (SEPs) and a conventional phosphoric acid-etchant on shear bond strength (SBS), adhesive remnant index (ARI), and enamel morphology at different debonding time points. Materials and Methods: In this experimental study, 120 premolars were randomly divided into six groups of 20. In the first t...

Journal: :Journal of chemical theory and computation 2009
Rosendo Valero Lingchun Song Jiali Gao Donald G Truhlar

Diabatic models are widely employed for studying chemical reactivity in condensed phases and enzymes, but there has been little discussion of the pros and cons of various diabatic representations for this purpose. Here we discuss and contrast six different schemes for computing diabatic potentials for a charge rearrangement reaction. They include (i) the variational diabatic configurations (VDC...

Journal: :journal of physical & theoretical chemistry 2011
m. ilkhani m. mirzaei

we have performed density functional theory (dft) calculations to investigate the properties of defect in arepresentative armchair model of silicon nanotubes (sints). to this aim, the structures of pristine and defective(5,5) sints have been optimized and the properties such as bond lengths, total energies, binding energies,.formation energies, gap energies, and dipole moments have been evaluat...

E. Rajaei M. A. Borji

In this paper, we have studied the strain, band-edge, and energy levels of cubic InGaAs quantum dots (QDs) surrounded by GaAs. It is shown that overall strain value is larger in InGaAs-GaAs interfaces, as well as in smaller QDs. Also, it is proved that conduction and valence band-edges and electron-hole levels are size dependent; larger QD sizes appeared to result in the lower recombination...

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