Magnetic structure of l brace 111 r brace stacking faults in nickel

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

DOI:https://doi.org/10.1063/1.344869· OSTI ID:6949643

Chrzan, D C; Falicov, L M ^[1]; MacLaren, J M ^[2]; Zhang, X ^[3]; Gonis, A ^[4]

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1. Department of Physics, University of California, Berkeley, California 94720 (USA) Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720 (USA)
2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (USA)
3. Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60201 (USA)
4. Chemistry and Materials Science, L-280, Lawrence Livermore National Laboratory, Livermore, California 94550 (USA)

The magnetic structure of {l brace}111{r brace} stacking faults in nickel is investigated utilizing a fully self-consistent, layered Korringa--Kohn--Rostoker approach which does {ital not} require full three-dimensional symmetry or the use of finite-sized slabs. Localized electronic states appear at the faults. The spin polarization is calculated for a twin boundary, an intrinsic fault, an extrinsic fault, and several other stacking sequences. In all cases, the magnetic moment is found to be insensitive to the orientation of the nearest-neighbor atoms, but instead can be related to the distance to the nearest atom in the direction perpendicular to the fault plane. Very simple empirical expressions for calculating the spin polarization and total energy of any stacking configuration are presented.

• DOE Contract Number: W-7405-ENG-36; W-7405-ENG-48; AC03-76SF00098
• OSTI ID: 6949643
• 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
360102 -- Metals & Alloys-- Structure & Phase Studies
360104* -- Metals & Alloys-- Physical Properties
ATOMS
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY SYSTEMS
EQUATIONS
FERROMAGNETIC MATERIALS
INTERSTITIALS
MAGNETIC MATERIALS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MATERIALS
METALS
MUFFIN-TIN POTENTIAL
NICKEL
ORIENTATION
PHYSICAL PROPERTIES
POINT DEFECTS
POTENTIALS
SLABS
SPIN ORIENTATION
STACKING FAULTS
SYMMETRY
THREE-DIMENSIONAL CALCULATIONS
TOTAL ENERGY SYSTEMS
TRANSITION ELEMENTS
TWINNING