Electronic and magnetic properties ofFeBr2

investigation of the electronic properties of carbon and iii-v nanotubes

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

EXPERIMENTAL AND THEORETICAL STUDY OF THE STRUCTURAL, MAGNETIC AND ELECTRONIC PROPERTIES OF THE BA2GDSBO6 PEROVSKITE

In this work the procedure to the synthesis of Ba2GdSbO6 complex perovskite by the solid-state reaction method is reported. Theoretically a study of the crystalline and electronic structure was performed into the framework of the Density Functional Theory (DFT). The most stable structure is obtained to be a rhombohedral perovskite with a lattice constant a=6,0840 Å.  Due the occurren...

Magnetic and electronic properties of rhodium clusters

We have used all-electron local ~LDA! and nonlocal ~GGA! approximations to the density-functional theory to determine binding energies, equilibrium geometries, vibrational frequencies, and magnetic properties of RhN clusters (N<6). We present careful tests on the Rh2 dimer that compare results as calculated with a large ~18-single Gaussian! and a very large ~23-single Gaussian! basis sets. Whil...

Graphene Nanoribbons: Geometric, Electronic, and Magnetic Properties

Graphene nanoribbons (GNRs) have one-dimensional structures with hexagonal twodimensional carbon lattices, which are stripes of graphene. Their structures and their electronic and magnetic properties have been intensively studied both experimentally and theoretically. Due to their various edge structures, GNRs present different electronic properties ranging from normal semiconductors to spin-po...

Magnetic and electronic properties of Eu4Sr4Ga16Ge30