in the present work, the electronic properties of titanium were studied in three phases of α, β and ω using the density function theory (dft). the full potential augmented plane wave plus local orbital (flapw+lo) method was applied using the generalized gradient approximation. the calculated total energies showed that omega phase was more stable than the two other phases. the largest electrical...

in the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) single walled carbon nanotubes in the ground state have done by using the hartree-fock and density functional theory dft-b3lyp/6-31g* level. delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by nbo (natural bond orbital) analysis. these methods a...

In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...

In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...

A model for percolative vortex motion in inhomogeneous superconductors is introduced. Near the percolation threshold the linear, frequency-dependent electronic conductivity is found to obey scaling laws. The percolation model for vortex motion provides an alternative explanation to the experimental finding of scaling in the electronic conductivity that is conventionally attributed to a vortex g...

The thermal conductivity of superconducting MgB 2 was studied in both the superconducting and normal state region. The latter is almost equally determined by the electronic-and the lattice thermal conductivity. In the superconducting state, however, the lattice thermal conductivity is larger. The electronic thermal conductivity below T c was derived from the experimental data considering the Ba...

The catalytic layers of a low temperature fuel cell must present a sufficient electronic conductivity for a high overall performance and, in this sense, the electrocatalyst support plays an important role. However, regarding carbon nanofibers as support, it is necessary to chemically treat their surface to improve both metal deposition and anchorage, which unfortunately affects negatively the e...

Thermal conductivity of superconducting MgB 2 was studied in both the superconducting and the normal state region. The latter is almost equally determined by the electronic-and the lattice contribution to the total thermal conductivity. In the superconducting state, however, the lattice contribution is larger. The electronic thermal conductivity below T c was derived from the experimental data ...