Self-consistent electronic structure of disordered Fe/sub 0. 65/Ni/sub 0. 35/

Journal Article · Mon Apr 15 00:00:00 EST 1985 · J. Appl. Phys.; (United States)

DOI:https://doi.org/10.1063/1.335199· OSTI ID:5784912

Johnson, D D; Pinski, F J; Stocks, G M

We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the very structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.

• Research Organization: Department of Physics, University of Cincinnati, Cincinnati, Ohio 45221
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 5784912
• Journal Information: J. Appl. Phys.; (United States), Vol. 57:8
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
IRON BASE ALLOYS
ELECTRONIC STRUCTURE
NICKEL ALLOYS
EXCHANGE INTERACTIONS
FERROMAGNETIC MATERIALS
MULTIPLE SCATTERING
POLARIZATION
SPIN
ALLOYS
ANGULAR MOMENTUM
INTERACTIONS
IRON ALLOYS
MAGNETIC MATERIALS
MATERIALS
PARTICLE PROPERTIES
SCATTERING
360104* - Metals & Alloys- Physical Properties