The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂
We present an <i>ab initio</i> study of pure and doped TiO₂ in the rutile and anatase phases. The main purpose of this work is to determine the role played by different defects and different crystal structures in the appearance of magnetic order. The calculations were performed for varyi...
| Autores principales: | , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2007
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/132101 |
| Aporte de: |
| id |
I19-R120-10915-132101 |
|---|---|
| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas Física Diluted magnetic semiconductors Titanium dioxide Ab initio calculations |
| spellingShingle |
Ciencias Exactas Física Diluted magnetic semiconductors Titanium dioxide Ab initio calculations Weissmann, Mariana Errico, Leonardo Antonio The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| topic_facet |
Ciencias Exactas Física Diluted magnetic semiconductors Titanium dioxide Ab initio calculations |
| description |
We present an <i>ab initio</i> study of pure and doped TiO₂ in the rutile and anatase phases. The main purpose of this work is to determine the role played by different defects and different crystal structures in the appearance of magnetic order. The calculations were performed for varying impurity and vacancy concentrations in both TiO₂ structures. For Co impurities the local magnetic moment remained almost independent of the concentration and distribution while for Cu this is not the case, there is magnetism for low concentrations that disappears for the higher ones. Impurity–impurity interactions in both structures favor linear ordering of them. Magnetism in undoped samples appears for certain vacancy concentrations and structural strain. |
| format |
Articulo Articulo |
| author |
Weissmann, Mariana Errico, Leonardo Antonio |
| author_facet |
Weissmann, Mariana Errico, Leonardo Antonio |
| author_sort |
Weissmann, Mariana |
| title |
The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| title_short |
The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| title_full |
The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| title_fullStr |
The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| title_full_unstemmed |
The role of vacancies, impurities and crystal structure in the magnetic properties of TiO₂ |
| title_sort |
role of vacancies, impurities and crystal structure in the magnetic properties of tio₂ |
| publishDate |
2007 |
| url |
http://sedici.unlp.edu.ar/handle/10915/132101 |
| work_keys_str_mv |
AT weissmannmariana theroleofvacanciesimpuritiesandcrystalstructureinthemagneticpropertiesoftio2 AT erricoleonardoantonio theroleofvacanciesimpuritiesandcrystalstructureinthemagneticpropertiesoftio2 AT weissmannmariana roleofvacanciesimpuritiesandcrystalstructureinthemagneticpropertiesoftio2 AT erricoleonardoantonio roleofvacanciesimpuritiesandcrystalstructureinthemagneticpropertiesoftio2 |
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Repositorios |
| _version_ |
1764820455924957185 |