Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies
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...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
2010
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
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| LEADER | 08132caa a22012617a 4500 | ||
|---|---|---|---|
| 001 | PAPER-7801 | ||
| 003 | AR-BaUEN | ||
| 005 | 20250314093037.0 | ||
| 008 | 190411s2010 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-77953782904 | |
| 024 | 7 | |2 cas |a 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 | |
| 030 | |a JCOME | ||
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 100 | 1 | |a Ferrari, Valeria Paola | |
| 245 | 1 | 0 | |a Co-doped ceria: Tendency towards ferromagnetism driven by oxygen vacancies |
| 260 | |c 2010 | ||
| 270 | 1 | 0 | |m Ferrari, V.; Departamento de Física and INN, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Gral. Paz 1499, 1650 San Martín, Buenos Aires, Argentina |
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| 506 | |2 openaire |e Política editorial | ||
| 520 | 3 | |a 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. |l eng | |
| 593 | |a Departamento de Física and INN, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Gral. Paz 1499, 1650 San Martín, Buenos Aires, Argentina | ||
| 593 | |a Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires C1033AAJ, Argentina | ||
| 593 | |a Departamento de Física Juan José Giambiagi, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina | ||
| 690 | 1 | 0 | |a AB INITIO |
| 690 | 1 | 0 | |a CERIUM OXIDES |
| 690 | 1 | 0 | |a CO-DOPED |
| 690 | 1 | 0 | |a DEGREE OF REDUCTION |
| 690 | 1 | 0 | |a FERROMAGNETIC ALIGNMENT |
| 690 | 1 | 0 | |a FERROMAGNETIC COUPLING |
| 690 | 1 | 0 | |a MAGNETIZATION VALUES |
| 690 | 1 | 0 | |a ROOM-TEMPERATURE FERROMAGNETISM |
| 690 | 1 | 0 | |a SYSTEMATIC STUDY |
| 690 | 1 | 0 | |a VACANCY CONCENTRATION |
| 690 | 1 | 0 | |a CERIUM |
| 690 | 1 | 0 | |a CERIUM COMPOUNDS |
| 690 | 1 | 0 | |a COBALT |
| 690 | 1 | 0 | |a ELECTRONIC STRUCTURE |
| 690 | 1 | 0 | |a EXPERIMENTS |
| 690 | 1 | 0 | |a FERROMAGNETIC MATERIALS |
| 690 | 1 | 0 | |a FERROMAGNETISM |
| 690 | 1 | 0 | |a MAGNETIC COUPLINGS |
| 690 | 1 | 0 | |a MAGNETIC MOMENTS |
| 690 | 1 | 0 | |a OXYGEN |
| 690 | 1 | 0 | |a VACANCIES |
| 690 | 1 | 0 | |a OXYGEN VACANCIES |
| 690 | 1 | 0 | |a CERIC OXIDE |
| 690 | 1 | 0 | |a CERIUM |
| 690 | 1 | 0 | |a CESIUM |
| 690 | 1 | 0 | |a COBALT |
| 690 | 1 | 0 | |a FLUORINE |
| 690 | 1 | 0 | |a ION |
| 690 | 1 | 0 | |a IRON |
| 690 | 1 | 0 | |a OXIDE |
| 690 | 1 | 0 | |a OXYGEN |
| 690 | 1 | 0 | |a ARTICLE |
| 690 | 1 | 0 | |a CHEMISTRY |
| 690 | 1 | 0 | |a CONFORMATION |
| 690 | 1 | 0 | |a MAGNETISM |
| 690 | 1 | 0 | |a METHODOLOGY |
| 690 | 1 | 0 | |a PHYSICS |
| 690 | 1 | 0 | |a CERIUM |
| 690 | 1 | 0 | |a CESIUM |
| 690 | 1 | 0 | |a COBALT |
| 690 | 1 | 0 | |a FLUORINE |
| 690 | 1 | 0 | |a IONS |
| 690 | 1 | 0 | |a IRON |
| 690 | 1 | 0 | |a MAGNETICS |
| 690 | 1 | 0 | |a MOLECULAR CONFORMATION |
| 690 | 1 | 0 | |a OXIDES |
| 690 | 1 | 0 | |a OXYGEN |
| 690 | 1 | 0 | |a PHYSICS |
| 700 | 1 | |a Llois, A.M. | |
| 700 | 1 | |a Vildosola, V. | |
| 773 | 0 | |d 2010 |g v. 22 |k n. 27 |p J Phys Condens Matter |x 09538984 |w (AR-BaUEN)CENRE-311 |t Journal of Physics Condensed Matter | |
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| 856 | 4 | 0 | |u https://doi.org/10.1088/0953-8984/22/27/276002 |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_09538984_v22_n27_p_Ferrari |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v22_n27_p_Ferrari |y Registro en la Biblioteca Digital |
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| 963 | |a VARI | ||
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