| Revue: | Brazilian journal of physics |
| Base de datos: | PERIÓDICA |
| Número de sistema: | 000408757 |
| ISSN: | 0103-9733 |
| Autores: | Paduani, C1 Krause, J.C2 |
| Instituciones: | 1Universidade Federal de Santa Catarina, Departamento de Fisica, Florianopolis, Santa Catarina. Brasil 2Universidade Regional Integrada do Alto Uruguai e das Missoes, Departamento de Ciencias Exatas e da Terra, Santo Angelo, Rio Grande do Sul. Brasil |
| Año: | 2006 |
| Periodo: | Dic |
| Volumen: | 36 |
| Número: | 4A |
| Paginación: | 1262-1266 |
| País: | Brasil |
| Idioma: | Inglés |
| Tipo de documento: | Artículo |
| Enfoque: | Experimental, analítico |
| Resumen en inglés | The first-principles molecular cluster discrete variational method (DV) is used to investigate the electronic structure and local magnetic properties of Cr impurities in bcc iron and Fe/Cr interfaces. The spin polarized case is considered within the framework of the local-spin-density approximation of the density function theory. The effect on the local moment and hyperfine magnetic field (Fermi contact term) of adding Cr atoms in the vicinity of Fe atoms is investigated. For a Cr impurity in bcc iron the calculated magnetic moment and hyperfine field is -0.62 µB and -300 kG, respectively. For pure chromium we obtained -0.49 µB and -67 kG. The Fe moment is sensitive to the separation between Cr atoms in the first shell of neighbors |
| Disciplinas: | Física y astronomía, Ingeniería |
| Palabras clave: | Física, Física de materia condensada, Ingeniería de materiales, Cromo |
| Keyword: | Physics and astronomy, Engineering, Condensed matter physics, Particle physics and quantum fields, Physics, Materials engineering, Chromium |
| Texte intégral: | Texto completo (Ver PDF) |
