Effects of chemical and magnetic disorder in Fe/sub 0. 50/Mn/sub 0. 50/

Journal Article · Fri Apr 15 00:00:00 EDT 1988 · J. Appl. Phys.; (United States)

DOI:https://doi.org/10.1063/1.340746· OSTI ID:5391031

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

We present the results of first-principles calculations of the total energy and spin-polarized electronic structure of disordered fcc Fe/sub 0.50/Mn/sub 0.50/. These self-consistent calculations were performed using the Korringa--Kohn--Rostoker method and the coherent-potential approximation (KKR-CPA), using the local-spin-density approximation to treat exchange and correlation. We use a lattice constant of a = 6.80 a.u.; information about stability can be inferred from calculated pressure and energy. The moments on the Fe and Mn sites are large but antiparallel to each other, resulting in a small net magnetization. A comparison of the electronic structure is made for fcc Fe, Mn, and FeMn in both the ferromagnetic and disordered local moment states.

• Research Organization: Condensed Matter Physics Branch, Naval Research Laboratory, Washington, DC 20375-5000
• OSTI ID: 5391031
• Journal Information: J. Appl. Phys.; (United States), Vol. 63:8
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
IRON ALLOYS
ELECTRONIC STRUCTURE
MAGNETIC PROPERTIES
MANGANESE ALLOYS
BAND THEORY
ALLOYS
PHYSICAL PROPERTIES
360104* - Metals & Alloys- Physical Properties