Electronic band structure and magnetism ofFe16N2calculated by the FLAPW method

Photoemission, electronic structure, and magnetism in VPd3.

Electronic band structure of a Carbon nanotube superlattice

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

Electronic structure and magnetism of Fe1ÀxPdx alloys

An ab initio linearized augmented plane-wave method has been employed to calculate the electronic and magnetic structures of both face-centered-cubic and body-centered-cubic Fe12xPdx alloys with x50.25, 0.50, and 0.75, respectively. Decreasing the Pd content in Fe12xPdx alloy from x51, the magnetic ordering of fcc Fe12xPdx changes from paramagnetism to ferromagnetism, ferrimagnetism, and finall...

Electronic band structure of a Carbon nanotube superlattice

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

Electronic correlation and magnetism in multi-band Kondo lattice model

We propose a self-consistent approximate solution of the disordered Kondo-lattice model (KLM) to get the interconnected electronic and magnetic properties of ’local-moment’ systems like diluted ferromagnetic semiconductors. Aiming at (A1−xMx) compounds, where magnetic (M) and non-magnetic (A) atoms are distributed randomly over a crystal lattice, we present a theory which treats the subsystems ...