Mostrar el registro sencillo del ítem
dc.contributor.author
Jiménez, María Julia
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.contributor.author
Butera, Alejandro Ricardo
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.contributor.author
Cabeza, Gabriela Fernanda
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.date.available
2021-10-20T16:43:23Z
dc.date.issued
2020-05-15
dc.identifier.citation
Jiménez, María Julia; Butera, Alejandro Ricardo; Cabeza, Gabriela Fernanda; Ab initio study of FeRh multilayers supported on MgO(0 0 1); Elsevier Science; Journal of Magnetism and Magnetic Materials; 502; 166488; 15-5-2020; 1- 11, 166488
dc.identifier.issn
0304-8853
dc.identifier.uri
http://hdl.handle.net/11336/144509
dc.description.abstract
Low dimensional films are materials of interest for the changes of the structural, electronic and magnetic properties they undergo, especially when they form interfaces with a substrate. The iron-rhodium (FeRh) alloy is an excellent example. Experimentally, FeRh films are deposited on single crystal substrates like MgO, sapphire or silicon. Particularly, MgO (0 0 1) is an excellent support for FeRh because it is possible to deposit high quality epitaxial films on it. MgO is also highly stable at high temperatures and tensile in-plane strain favors the FM over the AFM state. In order to improve the knowledge of the supported bimetallic systems properties, theoretical calculations using density functional theory (DFT) have been carried out. The different thicknesses considered for the multilayers are 0.6 nm, 0.9 nm and 1.2 nm for both, terminated in Fe or Rh. To complete the study, we present the results obtained on the influence of the termination of the surfaces, the number of alloy layers, the different magnetic configurations (FM – AFM), the charge transfer and the adhesion of the films to the MgO substrate. The analysis of the results shows that as the thickness of the film grows, the adhesion energy tends to an average value of the order of 1.5 J/m2 ; on the other hand, the AFM coupling facilitates the takeoff compared to the FM coupling. Moreover, comparing the difference between FM and AFM results for different thicknesses, the percentages are slightly lower for. –Rh terminated films. Regarding the out-of-plane relaxation percentages, they depend on the thickness of the film and the magnetic coupling. For the AFM coupling of films -Rh terminated, lower values are observed compared to those obtained for the FM coupling and this behavior is maintained for all three thicknesses studied. However, for the -Fe terminated films as the film grows the relaxations are practically twice those corresponding to the cases of films terminated in Rh tending to tetragonal structures. With respect to magnetic properties, in the three presented systems for -Rh terminated multilayers, the tendency of magnetic moments values for the FM coupling is maintained in around 3.2 μB/at for the case of Fe and 1.0 μB/at for the case of Rh. For AFM the most noticeable difference is the cancellation of the magnetic moments of Rh. However, the situation is different for the Fe atoms in the -Fe terminated multilayers. For 0.9 nm the Fe atoms in contact with the substrate undergo the least relaxation and their magnetic moments are parallel and equal to −1 μB/at. The Fe atoms of the other layers recovered their values of ± 3 μB/at. But when the film grows the Rh atoms acquire a small magnetization in increasing order as it approaches to the free surface. The presence of residual ferromagnetism in the interfaces of the FeRh films deposited on MgO (0 0 1) has also been observed experimentally by other groups. In summary, we can conclude that the obtained results are mostly influenced by the surface termination. (-Rh or -Fe).
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
DFT
dc.subject
FERH FILM
dc.subject
MAGNETISM
dc.subject
MGO(0 0 1)
dc.subject.classification
Otras Ciencias Físicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
Ciencias Físicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.title
Ab initio study of FeRh multilayers supported on MgO(0 0 1)
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-10-06T17:54:01Z
dc.journal.volume
502
dc.journal.number
166488
dc.journal.pagination
1- 11, 166488
dc.journal.pais
Países Bajos
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Jiménez, María Julia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Butera, Alejandro Ricardo. Universidad Nacional de Cuyo; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Fundación José A. Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.journal.title
Journal of Magnetism and Magnetic Materials
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0304885319329609
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.jmmm.2020.166488
Archivos asociados