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dc.contributor.author
Lanzini, Fernando Gabriel  
dc.contributor.author
Alés, Alejandro  
dc.date.available
2018-06-29T17:51:10Z  
dc.date.issued
2015-08  
dc.identifier.citation
Lanzini, Fernando Gabriel; Alés, Alejandro; The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn; Elsevier Science; Journal of Magnetism and Magnetic Materials; 395; 8-2015; 234-239  
dc.identifier.issn
0304-8853  
dc.identifier.uri
http://hdl.handle.net/11336/50711  
dc.description.abstract
Abstract A theoretical study of the ground state properties of alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn is presented. Cohesive energies, lattice parameters and magnetic moments of the two limiting compounds and three intermediate compositions are calculated by means of density functional theory. In order to evaluate the role of magnetism, both the spin-polarized (SP) and the non spin-polarized (NSP) cases have been considered. It is shown that magnetism plays a central role on the stabilization of the L21 crystal structure in Cu2AlMn, and in the formation of the miscibility gap in Cu3Al-Cu2AlMn. The considerable lattice mismatch between the end compounds can be attributed also to magnetic effects.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier Science  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Dft Calculations  
dc.subject
Heusler Alloys  
dc.subject
Magnetic Properties  
dc.subject
Phase Separation  
dc.subject
Structural Properties  
dc.subject.classification
Astronomía  
dc.subject.classification
Ciencias Físicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2018-06-29T13:04:29Z  
dc.journal.volume
395  
dc.journal.pagination
234-239  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina  
dc.description.fil
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina  
dc.journal.title
Journal of Magnetism and Magnetic Materials  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1016/j.jmmm.2015.07.068  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0304885315303760  

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