Hostname: page-component-586b7cd67f-dsjbd Total loading time: 0 Render date: 2024-11-23T04:26:53.271Z Has data issue: false hasContentIssue false
  • English
  • Français

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: [email protected]
Get access

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 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Chen, S.W., Wang, A.E. Ch.H., Lin, Sh.K. and Chiu, Ch.N. in Handbook Lead-Free Electronic Solders, edited by Subramanian, K.N., (Springer Science & Business Media, LLC, New York, 2007) pp. 19–37.CrossRefGoogle Scholar
Okamoto, H., Journal of Phase Equilibria and Diffusion 30, 301 (2009).CrossRefGoogle Scholar
Eremenko, V.N. and Kruchinina, G.I., Tr. Inst. Chernoi Met. Akad. Nauk Ukr. SSR 5, 110 (1951).Google Scholar
Panteleimonov, L.A., Khanna, A.Y., Skolova, I.G. and Fedoseeva, T.I., Vestn. Mosk. Univ. Ser. II: Khim. 19, 69 (1964).Google Scholar
Feschotte, P. and Lorin, D., J. Less Common Met. 155, 255 (1989).CrossRefGoogle Scholar
Cao, Z., Yoshikazu, T., Ohnuma, I., Kainuma, R., Zhu, H. and Ishida, K., Rare Metals 27, 384 (2008).CrossRefGoogle Scholar
Blaha, P., Schwarz, K., Madsen, G. K. H., Kvasnicka, D. and Luitz, J., WIEN2k An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, (Techn. Universität Wien, Austria, 2001).Google Scholar
Perdew, J.P., Burke, K. and Ernzerhof, M., Phys. Rev. Lett. 77, 3865 (1996).CrossRefGoogle Scholar
Perdew, J.P. and Wang, Y., Phys. Rev. B. 45, 13244 (1992).CrossRefGoogle Scholar
Murnaghan, F. D., Proc. Natl. Acad. Sci. USA 30, 244 (1994).CrossRefGoogle Scholar
Jamal, M., Jalali Asadabadi, S., Ahmad, I. and Rahnamaye Aliabad, H.A., Computational Materials Science 95, 592 (2014).CrossRefGoogle Scholar
Ramos de Debiaggi, S., Deluque Toro, C., Cabeza, G. and Fernández Guillermet, A., J. Alloys Compd. 542, 280 (2012); J. Alloys Compd. 576, 302(2013).CrossRefGoogle Scholar
Villars, P., Pearson´s Handbook of Crystallographic Data for Intermetallic Phases, Desk Edition, (ASM, Materials Park, OH 2, 1997) pp. 2510-2566 (Ni compounds), p. 2805 (Sb).Google Scholar
Mouhat, F. and Coudert, F.X., Phys. Rev. B 90, 224104 (2014).CrossRefGoogle Scholar
Ledbetter, H.M. and Reed, R.P., J. Phys. Chem. Ref. Data 2, 531 (1973).CrossRefGoogle Scholar
Pugh, S. F., Philos. Mag. 45, 823 (1954).CrossRefGoogle Scholar
Alers, G. and Neighbours, J.R., J. Phys. Chem. Solids 13, 40 (1960).CrossRefGoogle Scholar