Abstract
Using first-principles method, we study phase stability and magnetism in Ni-Pt system. We find that (i) inclusion of relativistic effects is essential for an accurate description of the phase stability and the magnetism in Ni-Pt alloys and (ii) the interstitial electrons are instrumental in reducing the local magnetic moment of Ni in oredered Ni3Pt, in agreement with experiments. This requires going beyond the so-called atomic-sphere approximation through the inclusion of corrections terms for overlap effects.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
J.S. Faulkner, Prog. Mat. Sc., 27, 1 (1982) and references therein.
F. Ducastelle and F. Gautier, J. Phys. F 6, 2039 (1976).
P.P. Singh, A. Gonis and P.E.A. Turchi, Phys. Rev. Lett. 71, 1605 (1993).
B.L. Gyorffy and G.M. Stocks, Phys. Rev. Lett. 50, 374 (1983).
J.W.D. Connolly and A.R. Williams, Phys. Rev. B 27, 5169 (1983).
S.-H. Wei, L.G. Ferreira and A. Zunger, Phys. Rev. B 41, 8240 (1990).
V.A. Gubanov, A. Liechtenstein and A.V. Postnikov, Magnetism and the Electronic Structure of Crystals, Springer Verlag, (1992) and references therein.
O.K. Andersen, Phys. Rev. B 12 3060 (1975).
O.K. Andersen, Z. Pawlowska and O. Jepsen, Phys. Rev. B 34, 5253(1986).
C.E. Dahmani, M.C. Cadville, J.M. Sanchez and J.L. Moran-Lopez, Phys. Rev. Lett. 55, 1208 (1985).
R.E. Parra and J.W. Cable, Phys. Rev. B 21, 5494 (1980).
H.L. Alberts, Phys. Lett. 49A, 271 (1974).
J. Inoue and M. Shimizu, J. Phys. Soc. Japan 42, 1547 (1977).
A. Pisanty et al., Z. Phys. B: Condensed Matter 80, 237 (1990).
A. Pisanty et al., MRS Symp. Proc., vol. 253, 291 (1992).
U. von Barth and L. Hedin, J. Phys. C5, 1629 (1972).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1998 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Singh, P.P. (1998). First-Principles Phase Stability Study of Metallic Alloys. In: Kumar, V., Sengupta, S., Raj, B. (eds) Frontiers in Materials Modelling and Design. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-80478-6_10
Download citation
DOI: https://doi.org/10.1007/978-3-642-80478-6_10
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-80480-9
Online ISBN: 978-3-642-80478-6
eBook Packages: Springer Book Archive