نتایج جستجو برای: tight binding method

تعداد نتایج: 2050197  

Journal: :Carbon 2021

We compare computational methods for determining the force between carbon atoms as a function of bond length, in order to establish which ones are capable accurately simulating carbon-carbon bonds breaking due applied mechanical strain nanomaterials. Results from Tight-binding, density-functional theory and molecular mechanics potentials compared Møller-Plesset perturbation complete-active-spac...

Journal: :Journal of Physics: Conference Series 2016

Journal: :Journal of Physics and Chemistry of Solids 2014

Journal: :Journal of Physics: Condensed Matter 2015

Journal: :Physical Review Letters 2015

Journal: :IEEE Transactions on Electron Devices 2016

ربانی, حسن, مردانی, محمد, مقدسی, فاطمه,

In this paper, we studied the electronic conductance of a carbon nanoring using Green’s function method at the tight-binding approach for different positions of contacts in the presence and absence of magnetic field. The results show that as the conductors approch in the nanoring, the tunneling conductance in the gap region improves. Moreover, applying the magnetic field dramatically influences...

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