The origins of phase stability in ordered and disordered Ni-Pt alloys |
| |
Authors: | Prabhakar P Singh |
| |
Institution: | (1) Department of Physics, Indian Institute of Technology, 400 076 Bombay, India |
| |
Abstract: | Using the atomic-sphere approximation formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKR CPA)
method, we have studied the effects of relativity on the electronic structure of ordered and substitutionally disordered Ni-Pt
alloys. The inclusion of mass-velocity and Darwin terms are found to be essential for describing the experimentally observed
ground-state properties. For the stability of disordered Ni-Pt alloys we find that, in addition to relativity, the minimization
of charge-transfer effects are important. We also find that the treatment of ordering tendencies based on the band energy
term alone is not sufficiently accurate for alloys with charge-transfer effects. Further analysis, in terms of basis functions,
densities of states and non-spherically averaged charge densities, indicate the importance ofs- andd-electrons of Pt for the stability of both ordered and disordered Ni-Pt alloys. |
| |
Keywords: | Phase stability ordered alloys disordered alloys |
本文献已被 SpringerLink 等数据库收录! |
|