نتایج جستجو برای: tight binding method

تعداد نتایج: 2050197  

2014
Sung Geun Kim Mathieu Luisier Timothy B. Boykin Gerhard Klimeck SungGeun Kim

Computational study of heterojunction graphene nanoribbon tunneling transistors with p-d orbital tight-binding method" (2014).

بهارلو, زهرا, ربانی, حسن, مردانی, محمد,

 In this paper, we calculate the spin-dependent conductance of ferromagnetic quantum wire in the presence of one or two defects by using Green's function method at the tight-binding approach. We study the effect of rotation of defect magnetic moment on the system conductance. The results show that in the magnetic wire, independent of existence or absence of defect, the allowed energy region shi...

maryam Hojatifar Peyman Sahebsara,

 The two-dimensional structure of graphene, consisting of an isotropic hexagonal lattice of carbon atoms, shows fascinating electronic properties, such as a gapless energy band and Dirac fermion behavior of electrons at fermi surface. Anisotropy can be induced in this structure by electrochemical pressure. In this article, by using tight-binding method, we review anisotropy effects in the elect...

ربانی, حسن , طالبی, مرضیه , مردانی, محمد ,

In this paper, we study the electronic conductance of molecular nanowires by considering the electron hopping between the first and second neighbors with the help Green’s function method at the tight-binding approach. We investigate three types of structures including linear uniform and periodic chains as well as poly(p-phenylene) molecule which are embedded between two semi-infinite metallic l...

خوئینی , فرهاد , فرمان, حسین ,

 In this work, we study electronic transport properties of a quasi-one dimensional pure semi-conducting Zigzag Carbon Nanotube (CNT) attached to semi-infinite clean metallic Zigzag CNT leads, taking into account the influence of topological defect in junctions. This structure may behave like a field effect transistor. The calculations are based on the tight-binding model and Green’s function me...

  In this paper, on the basis of tight-binding model and a generalized Green- function method as well as Lanczos algorithm procedure, the effects of the metal-molecule coupling(MMC) strength on the electronic transmission through a metal-single molecule-metal(MMM) system is investigated. Using the Landauer formalism we study some of the significant conductance properties of this system as a mol...

2009
Anthony T Paxton

“Tight binding” has existed for many years as a convenient and transparent model for the description of electronic structure in molecules and solids. It often provides the basis for construction of many body theories such as the Hubbard model and the Anderson impurity model. Slater and Koster call it the tight binding or “Bloch” method and their historic paper provides the systematic procedure ...

Journal: :WIREs Computational Molecular Science 2020

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