| Journal: | Revista mexicana de física |
| Database: | PERIÓDICA |
| System number: | 000365806 |
| ISSN: | 0035-001X |
| Authors: | Espitia, Miguel J1 Salcedo Parra, Octavio José1 Díaz, John H |
| Institutions: | 1Universidad Distrital "Francisco José de Caldas", Bogotá. Colombia |
| Year: | 2013 |
| Season: | Sep-Oct |
| Volumen: | 59 |
| Number: | 5 |
| Pages: | 488-492 |
| Country: | México |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Analítico, teórico |
| English abstract | We report a firt-principles study of the pressure dependence of electronic and the magnetic properties of Ga𝒳Mni1-𝒳N compounds (𝒳 = 0.25, 0.50 and 0.75) in wurtzite-derived structures. We use the full-potential linearized augmented plane wave method (FP-LAPW) within of the density functional theory framework. We found that, the lattice constant 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 6.02 µB at Per = 26.50 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 Ga𝒳Mni1-𝒳N 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 |
| Disciplines: | Física y astronomía |
| Keyword: | Física de materia condensada, Semiconductores magnéticos, Dependencia de presión, Superficies |
| Keyword: | Physics and astronomy, Condensed matter physics, Magnetic semiconductors, Pressure dependence, Surfaces |
| Full text: | Texto completo (Ver PDF) |
