منابع مشابه
Tight-binding approach to penta-graphene.
We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the π-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be w...
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 کاملTight-binding description of graphene
We investigate the tight-binding approximation for the dispersion of the p and p* electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed g0 applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbor...
متن کاملScalable tight-binding model for graphene.
Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real graphene can be captured by simulations using "theoretical artificial graphene." To prove this, we first derive a simple condition, along with its restrictions,...
متن کاملTight-binding description of patterned graphene
The existence of an energy gap of graphene is vital as far as nano-electronic applications such as nano-transistors are concerned. In this paper, we present a method for introducing arbitrary energy gaps through breaking the symmetry point group of graphene. We investigate the tight-binding approximation for the dispersion of π and π∗ electronic bands in patterned graphene including up to five ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Scientific Reports
سال: 2016
ISSN: 2045-2322
DOI: 10.1038/srep22672