Electronic structure and surface reactivity of Nd/sub 2/Fe/sub 14/B and related compounds

Journal Article · Tue Nov 15 04:00:00 EST 1988 · J. Appl. Phys.; (United States)

DOI:https://doi.org/10.1063/1.342286· OSTI ID:6749352

Jaswal, S S; Langell, M A; Ren, Y G; Engelhardt, M A; Sellmyer, D J

Studies of electronic and magnetic structure and surface reactivity are reported for R/sub 2/T/sub 14/B compounds where R = Y, Nd, Gd, and T = Fe, Co. The calculations employed the self-consistent, spin-polarized linear-muffin-tin orbital method. Experiments included ultraviolet, x-ray, and Auger electron spectroscopy. Comparisons are made between the calculated and measured electronic densities of states, and the reactions of the surfaces with O/sub 2/, H/sub 2/, and CO gases are studied. The effects of heat treatment on surface segregation are also reported.

• Research Organization: Behlen Laboratory of Physics, University of Nebraska, Lincoln, Nebraska 68588-0111
• OSTI ID: 6749352
• Journal Information: J. Appl. Phys.; (United States), Journal Name: J. Appl. Phys.; (United States) Vol. 64:10; ISSN JAPIA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
AUGER ELECTRON SPECTROSCOPY
BORIDES
BORON COMPOUNDS
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHEMICAL REACTIONS
COBALT BORIDES
COBALT COMPOUNDS
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY-LEVEL DENSITY
GADOLINIUM BORIDES
GADOLINIUM COMPOUNDS
HEAT TREATMENTS
HYDROGEN
IRON BORIDES
IRON COMPOUNDS
MAGNETIC PROPERTIES
MUFFIN-TIN POTENTIAL
NEODYMIUM BORIDES
NEODYMIUM COMPOUNDS
NONMETALS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POTENTIALS
RARE EARTH COMPOUNDS
SEGREGATION
SPECTRA
SPECTROSCOPY
SURFACE PROPERTIES
TRANSITION ELEMENT COMPOUNDS
ULTRAVIOLET SPECTRA
X-RAY SPECTRA
YTTRIUM BORIDES
YTTRIUM COMPOUNDS