Paramagnetic form factors from itinerant electron theory

Journal Article · Mon Apr 15 04:00:00 EST 1985 · J. Appl. Phys.; (United States)

DOI:https://doi.org/10.1063/1.335202· OSTI ID:5771631

Cooke, J F; Liu, S H; Liu, A J

Elastic neutron scattering experiments performed over the past two decades have provided accurate information about the magnetic form factors of paramagnetic transition metals. These measurements have traditionally been analyzed in terms of an atomic-like theory. There are, however, some cases where this procedure does not work, and there remains the overall conceptual problem of using an atomistic theory for systems where the unpaired-spin electrons are itinerant. We have recently developed computer codes for efficiently evaluating the induced magnetic form factors of fcc and bcc itinerant electron paramagnets. Results for the orbital and spin contributions have been obtained for Cr, Nb, V, Mo, Pd, and Rh based on local density bands. By using calculated spin enhancement parameters, we find reasonable agreement between theory and neutron form factor data. In addition, these zero parameter calculations yield predictions for the bulk susceptibility on an absolute scale which are in reasonable agreement with experiment in all treated cases except palladium.

• Research Organization: Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 5771631
• Journal Information: J. Appl. Phys.; (United States), Journal Name: J. Appl. Phys.; (United States) Vol. 57:8; ISSN JAPIA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ANGULAR MOMENTUM
CHROMIUM
COHERENT SCATTERING
COMPUTER CODES
COMPUTERIZED SIMULATION
DATA
DIFFRACTION
ELECTRONIC STRUCTURE
ELEMENTS
FORM FACTORS
INFORMATION
MAGNETIC PROPERTIES
MAGNETIC SUSCEPTIBILITY
MAGNETISM
MAGNETIZATION
METALS
MOLYBDENUM
NEUTRON DIFFRACTION
NIOBIUM
NUMERICAL DATA
PALLADIUM
PARAMAGNETISM
PARTICLE PROPERTIES
PHYSICAL PROPERTIES
PLATINUM METALS
RHODIUM
SCATTERING
SIMULATION
SPIN
THEORETICAL DATA
TRANSITION ELEMENTS
VANADIUM