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Artículo

Systematics of Structural, Phase Stability, and Cohesive Properties of η′-Cu6(Sn,In)5 Compounds Occurring in In-Sn/Cu Solder Joints

Ramos, Susana BeatrizIcon ; Gonzalez Lemus, Nasly VanessaIcon ; Deluque Toro, Crispulo Enrique; Cabeza, Gabriela FernandaIcon ; Fernandez Guillermet, Armando JorgeIcon
Fecha de publicación: 07/2017
Editorial: Springer
Revista: Journal Of Electronic Materials
ISSN: 0361-5235
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Astronomía

Resumen

Motivated by the high solubility of In in (mC44) η′-Cu6Sn5 compound as well as the occurrence of an In-doped η′-intermetallic in the microstructure of Cu/In-Sn/Cu solder joints, a theoretical study has been carried out to investigate the various physical effects of incorporating In at Sn Wyckoff sites of the binary η′-phase. Systematic ab initio calculations using the projected augmented wave method and Vienna Ab initio Simulation Package were used to determine the composition dependence of the structural and cohesive properties of η′-Cu6(Sn,In)5 compounds, compared with those expected from the binary end-member compounds Cu6Sn5 and Cu6In5. The molar volume shows significant deviations from Vegard’s law. The predicted composition dependence of the cohesive properties is discussed using two complementary approaches, viz. a valence-electron density approach as well as a bond-number approach, both accounting for the roughly linear dependence of the cohesive energy on the In content. A microscopic interpretation for this general trend is given in terms of the key contributions to chemical bonding in this class of compounds, namely Cu d-electron overlap and hybridization of Cu d-states with In and Sn p-electron states. Moreover, a crystallographic site approach is developed to accurately establish the phase-stabilizing effect of incorporating In at specific Wyckoff positions of the (mC44) η′-Cu6Sn5 structure.
Palabras clave: Ab&Nbsp;Initio Calculations , Cohesive Properties , Cu&Ndash;In&Ndash;Sn Intermetallic Compounds , Electronic Structure , Lead-Free Soldering Alloys , Phase Stability
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/65486
DOI: https://dx.doi.org/10.1007/s11664-017-5380-5
URL: https://link.springer.com/article/10.1007/s11664-017-5380-5
Colecciones
Articulos(CCT - PATAGONIA NORTE)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA NORTE
Citación
Ramos, Susana Beatriz; Gonzalez Lemus, Nasly Vanessa; Deluque Toro, Crispulo Enrique; Cabeza, Gabriela Fernanda; Fernandez Guillermet, Armando Jorge; Systematics of Structural, Phase Stability, and Cohesive Properties of η′-Cu6(Sn,In)5 Compounds Occurring in In-Sn/Cu Solder Joints; Springer; Journal Of Electronic Materials; 46; 7; 7-2017; 4485-4496
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