Study of Phase Stability in NiPt Systems

Details Study of Phase Stability in NiPt Systems Study of Phase Stability in NiPt Systems

2002-11-18

arxiv.org/abs/cond-mat/0211378v3

Physics

Condensed Matter

Materials Science

22 pages, 7 figures. Accepted for publication in JPCM

Scientific paper

10.1088/0953-8984/15/7/302

We have studied the problem of phase stability in NiPt alloy system. We have used the augmented space recursion based on the TB-LMTO as the method for studying the electronic structure of the alloys. In particular, we have used the relativistic generalization of our earlier technique. We note that, in order to predict the proper ground state structures and energetics, in addition to relativistic effects, we have to take into account charge transfer effects with precision.

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