Spin and orbital magnetism in 3 d systems

Journal Article · Fri Jun 15 00:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.41.11807· OSTI ID:6754645

Eriksson, O ^[1]; Nordstroem, L; Pohl, A; Severin, L ^[2]; Boring, A M ^[1]; Johansson, B ^[2]

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1. Center for Materials Science, Los Alamos National Laboratory, Los Alamos, NM (USA)
2. Department of Physics, University of Uppsala, Box 530, S-75121 Uppsala (Sweden)

We present self-consistent linear muffin-tin orbitals calculations for the cubic systems bcc Fe ({alpha}-Fe), YFe{sub 2}, FeAl, and Fe{sub 3}Al, and the hexagonal compounds ThFe{sub 5} and Fe{sub 2}P. The spin-polarized calculations include the spin-orbit coupling and both the spin and orbital moments are reported. A simple model calculation is presented for {alpha}-Fe and from this it is concluded that the low orbital moments in the presently investigated 3{ital d} systems can be understood from the symmetry-adapted wave functions of the crystal.

• OSTI ID: 6754645
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 41:17; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ACTINIDE ALLOYS
ALLOYS
ALUMINIUM ALLOYS
BAND THEORY
COUPLING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELEMENTS
HEXAGONAL LATTICES
INTERMEDIATE COUPLING
IRON
IRON ALLOYS
IRON COMPOUNDS
IRON PHOSPHIDES
L-S COUPLING
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
METALS
MUFFIN-TIN POTENTIAL
PHOSPHIDES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
POTENTIALS
THORIUM ALLOYS
THREE-DIMENSIONAL CALCULATIONS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
YTTRIUM ALLOYS