Related papers: Effects of axial torsion on sp carbon atomic nanow…
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…
We performed ab initio calculation on the pristine and carbon-doped (5,5) and (9,0) BN nanotubes. It was found that Carbon substitution for either boron or nitrogen in BN nanotubes can induce spontaneous magnetization. Calculations based on…
Recent advances in electron spin resonance techniques have allowed the manipulation of the spin of individual atoms, making magnetic atomic chains on superconducting hosts one of the most promising platform where topological…
The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2\pi /a) as crucial for rising…
The electronic and transport properties of atomic-size contacts are analyzed theoretically using a self-consistent tight-binding model. Our results show that, for s-like metals, a sufficiently narrow contact exhibits well defined resonant…
The influence of charged STM tip on the electron transport through quantum states on a surface is studied both theoretically and experimentally. The current and the differential conductance calculations are carried out by means of the…
One of the central tenets of conventional theories of superconductivity, including most models proposed for the recently discovered iron-pnictide superconductors, is the notion that only electronic excitations with energies comparable to…
Cluster perturbation theory is used to calculate band structure, spectral functions, Fermi surface, and spin and charge susceptibilities for the two-orbital model of iron pnictides with the on-site multiorbital Hubbard interactions.…
The magnetic and spin transport properties of a carbon chain between two armchair graphene nanoribbon (AGNR) electrodes were studied using tight-binding Hamiltonian, mean-field Hubbard model and Landauer-Butikker formalism. The results…
We explore the spin and charge properties of electrons in wurtzite semiconductor nanowires where radial and axial confinement leads to tubular or ring-shaped quantum structures. Accounting for spin-orbit interaction induced by the wurtzite…
Super-compressible foam-like carbon nanotube films have been reported to exhibit highly nonlinear viscoelastic behaviour in compression similar to soft tissue. Their unique combination of light weight and exceptional electrical, thermal and…
We evaluate the optical reflectivity for a uniaxially strained graphene single layer between a SiO2 substrate and air. A tight binding model for the band dispersion of graphene is employed. As a function of the strain modulus and direction,…
Matrix elements of electron-light interactions for armchair and zigzag graphene nanoribbons are constructed analytically using a tight-binding model. The changes in wavenumber ($\Delta n$) and pseudospin are the necessary elements if we are…
Using the Landauer-Buttiker formalism, we calculate the effect of structural twist on electron transport in conducting carbon nanotubes. We demonstrate that even a localized region of twist scatters the propagating pi electrons and induces…
Strain effects on epitaxial thin films of LaNiO3 grown on different single crystalline substrates are studied by Raman scattering and first-principles simulation. New Raman modes, not present in bulk or fully-relaxed films, appear under…
Raman spectroscopic study of amorphous carbon layers for two different excitation wavelengths at room temperature. The amount of sp3 bondings is estimated to about 10% for both samples, evaluated from the ratio of the D- and G-Raman line…
We investigate magnetism in amorphous carbon as suggested by the recently reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simulations to obtain amorphous carbon structures with the desired…
We report that the $\pi$ band of graphene sensitively changes as a function of an external potential induced by Na especially when the potential becomes periodic at low temperature. We have measured the band structures from the graphene…
We present a practical method to compute the vibrational resonant Raman spectra in solids with delocalized excitations. We apply this approach to the study of tetrahedrous amorphous carbon. We determine the vibrational eigenmodes and…
Energies of a certain class of fullerene molecules (elongated, contracted, and regular icosahedral fullerenes) are numerically calculated using a microscopic description of carbon-carbon bonding. It is shown how these results can be…