Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1530502 | Materials Science and Engineering: B | 2009 | 4 Pages |
Abstract
We report an ab-initio study of the pressure effects on the electronic and the magnetic properties of GaxV1âxN compounds (x=0.25, 0.50 and 0.75) in wurtzite-derived structures. We use the full-potential linearized augmented plane wave plus local orbitals method (LAPW + lo) within of the spin density functional theory framework. The lattice constant is found to vary linearly with Ga-concentration. The magnetic moment changes for a critical pressure. At x=0.75, a rather abrupt onset of the magnetic moment from 0 to 2 μB at Pcrâ¼22.8 GPa is observed. For x=0.25 and 0.50 Ga concentrations, the magnetic moment increases gradually when the pressure decreases toward the equilibrium value. We study the transition pressure dependence to a ferromagnetic phase near the onset of magnetic moment for each GaxV1âxN compounds. The calculation of the density of states with Ga concentration is carried out considering two spin polarizations. The results reveal that for x=0.75 the compound behaves as a conductor for the spin-up polarization and that the density of states for spin-down polarization is zero at the Fermi level. At this concentration the compound presents a half metallic behavior; therefore this material could be potentially useful as spin injector. At high pressures P>Pcr the compounds exhibit a metallic behavior.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Rafael González Hernández, William López Pérez, F. Fajardo, Jairo Arbey RodrÃguez M.,