| Journal: | Revista mexicana de física |
| Database: | PERIÓDICA |
| System number: | 000397540 |
| ISSN: | 0035-001X |
| Authors: | Reyes, A.M1 Arredondo, Y2 Navarro, O1 |
| Institutions: | 1Universidad Nacional Autónoma de México, Instituto de Investigaciones en Materiales, Ciudad de México. México 2Universidad Nacional Autónoma de México, Escuela Nacional de Estudios Superiores - Morelia, Morelia, Michoacán. México |
| Year: | 2016 |
| Season: | Mar-Abr |
| Volumen: | 62 |
| Number: | 2 |
| Pages: | 160-163 |
| Country: | México |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Analítico, teórico |
| English abstract | First principles calculations were done in the double perovskite Sr2FeMoO6 regarding the effects of cationic disorder and electronic correlation in the ground-state properties such as spin polarization and magnetic saturation. We used the Generalized Gradient Approximation (GGA) method including a U Hubbard term. Results with 25% of disorder, where Fe-O-Fe and Mo-O-Mo configurations frequently occur, are shown. We found that disorder breaks down the half-metallic ferromagnetic behavior. We also calculated a magnetic saturation decrease from 4.0jtB per formula unit to 2.22jtB in accord with neutron magnetic scattering experiments |
| Disciplines: | Física y astronomía |
| Keyword: | Física de materia condensada, Perovskitas dobles, Desorden catiónico, Correlación electrónica, Medio compuesto de metal |
| Keyword: | Physics and astronomy, Condensed matter physics, Double perovskites, Cationic disorder, Electronic correlation, Half-metal compound |
| Full text: | Texto completo (Ver PDF) |
