Artículo
Ferrari, V.; Llois, A.M.; Vildosola, V. "Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies" (2010) Journal of Physics Condensed Matter. 22(27)
Consulte la política de Acceso Abierto del editor
Abstract:
We perform an electronic structure study for cerium oxide homogeneously doped with cobalt impurities, focusing on the role played by oxygen vacancies and structural relaxation. By means of full-potential abinitio methods, we explore the possibility of ferromagnetism as observed in recent experiments. Our results indicate that oxygen vacancies seem to be crucial for the appearance of a ferromagnetic alignment among Co impurities, obtaining an increasing tendency towards ferromagnetism with growing vacancy concentration. However, the estimated couplings cannot explain the experimentally observed room-temperature ferromagnetism. In this systematic study, we draw relevant conclusions regarding the location of the oxygen vacancies and the magnetic couplings involved. In particular, we find that oxygen vacancies tend to nucleate in the neighborhood of Co impurities and we get a remarkably strong ferromagnetic coupling between Co atoms and the Ce3 + neighboring ions. The calculated magnetic moments per cell depend on the degree of reduction, which could explain the wide spread in the magnetization values observed in the experiments. © 2010 IOP Publishing Ltd.
Registro:
| Documento: | Artículo |
| Título: | Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies |
| Autor: | Ferrari, V.; Llois, A.M.; Vildosola, V. |
| Filiación: | Departamento de Física and INN, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Gral. Paz 1499, 1650 San Martín, Buenos Aires, Argentina Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires C1033AAJ, Argentina Departamento de Física Juan José Giambiagi, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina |
| Palabras clave: | Ab initio; Cerium oxides; Co-doped; Degree of reduction; Ferromagnetic alignment; Ferromagnetic coupling; Magnetization values; Room-temperature ferromagnetism; Systematic study; Vacancy concentration; Cerium; Cerium compounds; Cobalt; Electronic structure; Experiments; Ferromagnetic materials; Ferromagnetism; Magnetic couplings; Magnetic moments; Oxygen; Vacancies; Oxygen vacancies; ceric oxide; cerium; cesium; cobalt; fluorine; ion; iron; oxide; oxygen; article; chemistry; conformation; magnetism; methodology; physics; Cerium; Cesium; Cobalt; Fluorine; Ions; Iron; Magnetics; Molecular Conformation; Oxides; Oxygen; Physics |
| Año: | 2010 |
| Volumen: | 22 |
| Número: | 27 |
| DOI: | http://dx.doi.org/10.1088/0953-8984/22/27/276002 |
| Título revista: | Journal of Physics Condensed Matter |
| Título revista abreviado: | J Phys Condens Matter |
| ISSN: | 09538984 |
| CODEN: | JCOME |
| CAS: | cerium, 7440-45-1; cesium, 7440-46-2; cobalt, 7440-48-4; fluorine, 7782-41-4; iron, 14093-02-8, 53858-86-9, 7439-89-6; oxide, 16833-27-5; oxygen, 7782-44-7; Cerium, 7440-45-1; Cesium, 7440-46-2; Cobalt, 7440-48-4; Fluorine, 7782-41-4; Ions; Iron, 7439-89-6; Oxides; Oxygen, 7782-44-7; ceric oxide, 1306-38-3 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v22_n27_p_Ferrari |
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Citas:
---------- APA ----------
Ferrari, V., Llois, A.M. & Vildosola, V. (2010) . Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies. Journal of Physics Condensed Matter, 22(27).http://dx.doi.org/10.1088/0953-8984/22/27/276002
---------- CHICAGO ----------
Ferrari, V., Llois, A.M., Vildosola, V. "Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies" . Journal of Physics Condensed Matter 22, no. 27 (2010).http://dx.doi.org/10.1088/0953-8984/22/27/276002
---------- MLA ----------
Ferrari, V., Llois, A.M., Vildosola, V. "Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies" . Journal of Physics Condensed Matter, vol. 22, no. 27, 2010.http://dx.doi.org/10.1088/0953-8984/22/27/276002
---------- VANCOUVER ----------
Ferrari, V., Llois, A.M., Vildosola, V. Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies. J Phys Condens Matter. 2010;22(27).http://dx.doi.org/10.1088/0953-8984/22/27/276002
