Artículo
Ab initio study of the structural, thermodynamic and electronic properties of the Cu10In7 intermetallic phase
Ramos, Susana Beatriz
; Cabeza, Gabriela Fernanda
; Deluque Toro, Crispulo Enrique; Monti, A. M.; Sommadossi, Silvana Andrea
; Fernandez Guillermet, Armando Jorge




Fecha de publicación:
12/2010
Editorial:
Elsevier Science SA
Revista:
Journal of Alloys and Compounds
ISSN:
0925-8388
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The physico-chemical properties of the intermetallic phases in the Cu–In system have been a matter of considerable theoretical and experimental interest in connection with, i.a., the application of In–Sn alloys as lead-free micro-soldering alloys. Recently, a new binary compound with the chemical formula Cu10In7 has been detected in a study of the η-phase field. The structure of the Cu10In7 phase has been determined as closely related to that of the Cu11In9 compound occurring in the phase diagram, but no experimental or theoretical information on its electronic structure, thermodynamic and equation-of-state properties has yet been reported. In the present work we report the lattice parameters, bulk modulus, energy of formation from the constituent elements and the electronic structure of the new phase, calculated by applying an ab initio density-functional-theory method. Our calculation technique uses the projector augmented wave potentials and the exchange-correlation functions of Perdew and Wang in the generalized gradient approximation. The present results for the Cu10In7 phase are compared with the experimental data available, and with the trends in structural and thermodynamic properties emerging from ab initio calculations also performed in the present study for various structurally related and neighboring compounds in the Cu–In phase diagram, viz., the ideal B82–Cu2In, B81–CuIn, B82–CuIn2 phases and the Cu11In9 compound.
Archivos asociados
Licencia
Identificadores
Colecciones
Articulos(CCT - PATAGONIA CONFLUENCIA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA CONFLUENCIA
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA CONFLUENCIA
Articulos(CCT - PATAGONIA NORTE)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA NORTE
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA NORTE
Articulos(IFISUR)
Articulos de INSTITUTO DE FISICA DEL SUR
Articulos de INSTITUTO DE FISICA DEL SUR
Articulos(PROBIEN)
Articulos de INST. DE INVESTIGACION Y DES. EN ING. DE PROCESOS, BIOTECNOLOGIA Y ENERGIAS ALTERNATIVAS
Articulos de INST. DE INVESTIGACION Y DES. EN ING. DE PROCESOS, BIOTECNOLOGIA Y ENERGIAS ALTERNATIVAS
Citación
Ramos, Susana Beatriz; Cabeza, Gabriela Fernanda; Deluque Toro, Crispulo Enrique; Monti, A. M.; Sommadossi, Silvana Andrea; et al.; Ab initio study of the structural, thermodynamic and electronic properties of the Cu10In7 intermetallic phase; Elsevier Science SA; Journal of Alloys and Compounds; 509; 7; 12-2010; 3238-3245
Compartir
Altmétricas