منابع مشابه
Tight- binding study of electronic band structure of anisotropic honeycomb lattice
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...
متن کاملHandout on Tight-binding Calculation for Band Structures
The ions of a solid are assumed to be in a perfect arrangement, and they introduce a periodic potential, infinitely large in size. We would start from the ‘one electron approximation’ for convenience. For many solids, the existence of the core electrons can be ‘ignored’ because of screening, The problem is now to calculate the wavefunction of one electron as a function of energy. Using the Schr...
متن کاملEffect of Curvature on the Mechanical Properties of Graphene: A Density Functional Tight-binding Approach
Due to the high cost of experimental analyses, researchers used atomistic modeling methods for predicting the mechanical behavior of the materials in the fields of nanotechnology. In the pre-sent study the Self-Consistent Charge Density Functional Tight-Binding (SCC-DFTB) was used to calculate Young's moduli and average potential energy of the straight and curved graphenes with different curvat...
متن کاملCalculation for Energy of (111) Surfaces of Palladium in Tight Binding Model
In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...
متن کاملnon-linear study of various slit shear walls in steel structures
seismic retrofit strategies have been developed in the past few decades following the introduction of new seismic provisions and the availability of advanced materials and methods. it can be observed that new approaches to deal with more lateral forces are more innovative and more energy absorbent. in line with this, there is a growing trend toward the use of steel shear walls as a system with ...
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ژورنال
عنوان ژورنال: Journal of Physics and Chemistry of Solids
سال: 2014
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2014.05.003