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Elastic properties and electronic structure of the Ni3Sb (cF16) intermetallic

Published online by Cambridge University Press:  22 July 2016

Críspulo E. Deluque ,
Susana B. Ramos  and
Armando J. Fernández
Críspulo E. Deluque*
Affiliation:
Grupo de Nuevo Materiales, Facultad de Ingeniería Universidad de la Guajira, Kilómetro 5 Vía a Maicao, Riohacha, Colombia.
Susana B. Ramos
Affiliation:
Departamento de Física - Facultad de Ingeniería - Universidad Nacional del Comahue. Buenos Aires 1400, (8300) Neuquén, Argentina. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas – CONICET-UNCo, Argentina
Armando J. Fernández
Affiliation:
CONICET. Instituto Balseiro, Centro Atómico Bariloche, Avda. Bustillo 9500, 8400 Bariloche, Argentina.
*
*C. E. Deluque Toro1 (✉) e-mail: deluquetoro@gmail.com
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Abstract

The possibilities of Ni as contact material in electronic applications has motivated the interest on the intermetallic phases of the Ni-Sb system, in relation to their use in lead free micro-soldering processes. In this work, a detailed theoretical study of the cohesive and thermodynamic properties of the compound Ni3Sb in the (cF16) Fm-3m structure is reported. To this aim, the Full Potential Linearized Augmented Plane Waves method, within the framework of the Density Functional Theory and both Generalized Gradient and Local Density approximations, has been applied. The structural parameters, cohesive and elastic properties of this compound and its constituent elements have been determined. In particular, the equilibrium structural properties are determined through the minimization of the energy, including the full relaxation of the internal degrees of freedom of the cell. It is shown that the calculated properties agree well with the available experimental data. Moreover, various contributions to the electronic density of sates are studied. On this basis, a discussion is presented of the bonding characteristics of this compound, in the framework of the current ideas about cohesion in p-d bonded intermetallics.

Keywords

Elastic propertiesSolderingAlloy
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1816: Symposium 5B – Structural and Chemical Characterization of Metals, Alloys and Compounds , 2016 , imrc2015absp93
Copyright
Copyright © Materials Research Society 2016 

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References

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