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.
@article{arxiv.cond-mat/0211378,
title = {Study of Phase Stability in NiPt Systems},
author = {Durga Paudyal and Tanusri Saha-Dasgupta and Abhijit Mookerjee},
journal= {arXiv preprint arXiv:cond-mat/0211378},
year = {2009}
}
Comments
22 pages, 7 figures. Accepted for publication in JPCM