相关论文: Pressure effects on bond lengths and shape of zigz…

The thermal conductivity, k(T), of bulk single-wall carbon nanotubes (SWNT's) displays a linear temperature dependence at low T that has been attributed to 1D quantization of phonons. To explore this issue further, we have measured the k(T)…

How to form carbon nanoscrolls with the non-uniform curvatures is worthy of a detailed investigation. The first-principles method is suitable in studying the combined effects due to the finite-size confinement, the edge-dependent…

In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp_3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp_3 to sp_2 hybridized carbon…

An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and…

Dependence of structural parameters on the size of nanoparticles is a topic of general interest where the effect of shape is often neglected. We report a comprehensive study on size dependent structural parameters of ZnO nanostructures (NS)…

The band structure and optical dielectric function $\epsilon$ of single-walled zigzag [(3,0),(4,0),(5,0),(6,0),(8,0),(9,0),(12,0),(16,0),(20,0),(24,0)], armchair [(3,3),(4,4),(5,5),(8,8),(12,12),(15,15)], and chiral…

Using large-scale DFT calculations, we have investigated the structural and electronic properties of both armchair and zigzag graphdiyne nanotubes as a function of size. To provide insight in these properties, we present new detailed…

Generation of direct current in zigzag carbon nanotubes due to harmonic mixing of two coherent electromagnetic waves is being considered. The electromagnetic waves have commensurate frequencies of omega and two omega. The rectification of…

We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R^3, where R is the SWNT radius or…

In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of…

Geometric optimization and electronic properties of Stone-Wales defective antimonene nanotubes are calculated by the method of first -principle calculations based on density functional theory. Various nanotubes are investigated according to…

Tunneling density of states of both the massless and massive (gapped) particles in metallic carbon nanotubes is known to have anomalous energy dependence. This is the result of coupling to multiple low-energy bosonic excitation (plasmons).…

We report a combined electronic transport and structural characterization study of small carbon nanotube bundles in field-effect transistors (FET). The atomic structures of the bundles are determined by electron diffraction using an…

In contrast to most microscopic theories of superconductivity based on the reciprocal space, the Bogoliubov-de Gennes (BdG) formalism provides a real-space alternative for addressing inhomogeneous systems. In this article, we study the…

Density functional calculations of hybrids consisting of a single wall carbon nanotube and a graphene nanoribbon have been performed. We consider the dependence of the structural, electronic and magnetic properties of the hybrids on the…

Using a tight-binding model and some well-known approaches and methods based on Green's function theory and Landauer formalism, we numerically investigate the conductance properties and I-V characteristics of zigzag single-walled BCN alloy…

Motivated by a recent experiment [F. Pei et al., Nat. Nanotech. 7, 630 (2012)], we theoretically study the Pauli blockade transport effect in a double quantum dot embedded in a bent carbon nanotube. We establish a model for Pauli blockade,…

A theory of the long wavelength low energy electronic structure of graphite-derived nanotubules is presented. The propagating $\pi$ electrons are described by wrapping a massless two dimensional Dirac Hamiltonian onto a curved surface. The…

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…

Persistent currents driven by a static magnetic flux parallel to the carbon nanotube axis are investigated. Owing to the hexagonal symmetry of graphene the Fermi contour expected for a 2D-lattice reduces to two points. However the electron…