Electronic structure, magnetic properties, and Moessbauer isomer shifts of Fe and TiFe alloys

Journal Article · Tue Jan 01 04:00:00 EST 1985 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.31.93· OSTI ID:5942656

Guenzburger, D; Ellis, D E

The self-consistent discrete variational method and the local X..cap alpha.. exchange approximation have been employed to obtain the electronic structure of 15-atom clusters representing Fe metal and TiFe alloys. The dependence of the magnetic moment and isomer shift of iron metal on pressure was investigated. Local moments of Ti dilute impurities in Fe were calculated. The ordered (CsCl-structure) intermetallic compound FeTi, which represents a concentrated-impurity limit of the TiFe alloys, was also studied, and an isomer-shift (IS) value obtained. The results show that the cluster approach yields magnetic moments and IS consistent with experimental magnetization, neutron scattering, and Moessbauer data.

• Research Organization: Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439 and Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60201
• OSTI ID: 5942656
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 31:1; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALLOYS
ELECTRONIC STRUCTURE
ELEMENTS
EXCHANGE INTERACTIONS
INTERACTIONS
IRON
IRON ALLOYS
IRON BASE ALLOYS
ISOMER SHIFT
MAGNETIC PROPERTIES
METALS
MOESSBAUER EFFECT
PHYSICAL PROPERTIES
PRESSURE DEPENDENCE
SELF-CONSISTENT FIELD
TITANIUM ALLOYS
TRANSITION ELEMENTS
VARIATIONAL METHODS