Electronic structure and ground state properties of Pt-Fe and Ni-Fe alloys

✍ Scribed by Marek Podgórny

• Publisher: Elsevier Science
• Year: 1990
• Tongue: English
• Weight: 474 KB
• Volume: 161
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(89)90114-2

✦ Synopsis

Electronic

structure and ground-state properties of Pt-Fe and Ni-Fe alloys have been studied theoretically with use of the LMTO method for several concentrations and various magnetic phases. For Pt-Fe systems the non-magnetic and ferromagnetic phases of PtFe,, PtzFez and Pt,Fe have been studied in the range of (-30%. +lO%) V',,. A similar study has been carried out for Fe,Ni, Fe,Ni, and Fe,Ni,. The calculations disclose that many anomalies observed for the Ni-Fe system, traditionally associated with invar behaviour, can be accounted for and explained within the one-electron model. In particular, the origin of the deviation of the magnetic moment of the Ni-Fe system from the Slater-Pauling curve and the absence of such a deviation for the Pt-Fe system is discussed, as well as the local magnetic moments, bulk moduli and equilibrium lattice constants.