Calculation of local orbital moments of conduction electrons in Nd sub 2 Fe sub 14 B

Journal Article · Tue May 01 04:00:00 EDT 1990 · Journal of Applied Physics; (USA)

DOI:https://doi.org/10.1063/1.344780· OSTI ID:6838246

Zhong, X; Ching, W Y ^[1]

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1. Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (USA)

Based on the spin-polarized band structure of Nd{sub 2}Fe{sub 14}B using the OLCAO method and the inclusion of spin-orbit interaction in the Hamiltonian, the contribution to the local moments have been calculated from the orbital angular momenta of the conduction electrons. A site decomposition of partial density of states provides all the essential information about the local orbital moments on each site. The calculation involves diagonalization of complex band matrix equations for all wave vectors in several stars of {bold k} in the Brillouin zone. The calculated orbital moments on different Fe sites are in general agreement with other calculations and are much smaller than the spin magnetic moments. The calculation presented here also reveals that for the crystallographically equivalent sites, the local orbital moments may not be the same depending on the local environment of the site.

• OSTI ID: 6838246
• Journal Information: Journal of Applied Physics; (USA), Journal Name: Journal of Applied Physics; (USA) Vol. 67:9; ISSN 0021-8979; ISSN JAPIA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
BORIDES
BORON COMPOUNDS
BRILLOUIN ZONES
COUPLING
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONS
ELEMENTARY PARTICLES
ENERGY-LEVEL DENSITY
FERMIONS
INTERMEDIATE COUPLING
IRON BORIDES
IRON COMPOUNDS
L-S COUPLING
LEPTONS
MAGNETIC MOMENTS
NEODYMIUM BORIDES
NEODYMIUM COMPOUNDS
ORIENTATION
PHYSICAL PROPERTIES
RARE EARTH COMPOUNDS
SPIN ORIENTATION
TRANSITION ELEMENT COMPOUNDS
ZONES