| dc.creator | Errico, Leonardo Antonio | |
| dc.creator | Weissmann, Mariana | |
| dc.creator | Rentería, Mario | |
| dc.date | 2004-08 | |
| dc.date | 2022-03-07T17:34:49Z | |
| dc.date.accessioned | 2023-07-15T04:19:14Z | |
| dc.date.available | 2023-07-15T04:19:14Z | |
| dc.identifier | http://sedici.unlp.edu.ar/handle/10915/132075 | |
| dc.identifier | issn:0370-1972 | |
| dc.identifier | issn:1521-3951 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/7469095 | |
| dc.description | Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO₂ were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the Full-Potential Linearized-Augmented Plane Waves (FLAPW) method, assuming that the magnetic impurities substitutionally replace the Ti ions. Our results show that the systems (with the exception of Ni-doped TiO₂) are ferromagnetic. We also found that polarization mainly occurs at the impurity sites, and the magnetic moments of the impurities are independent of the impurity concentration. | |
| dc.description | Facultad de Ciencias Exactas | |
| dc.format | application/pdf | |
| dc.format | 2399-2403 | |
| dc.language | en | |
| dc.rights | http://creativecommons.org/licenses/by-nc-sa/4.0/ | |
| dc.rights | Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
| dc.subject | Ciencias Exactas | |
| dc.subject | Física | |
| dc.subject | Density functional theory, local density approximation, gradient and other corrections | |
| dc.subject | Other inorganic compounds | |
| dc.subject | Magnetic impurity interactions | |
| dc.subject | Magnetic semiconductors | |
| dc.title | <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂ | |
| dc.type | Articulo | |
| dc.type | Articulo | |
