Electronic structure and surface reactivity of Nd₂Fe₁₄B and related compounds

Authors

Sitaram Jaswal, University of NebraskaFollow
Marjorie Langell, University of Nebraska-LincolnFollow
Y.G. Ren, University of Nebraska - Lincoln
M.A. Engelhardt, University of Nebraska - Lincoln
David J. Sellmyer, University of Nebraska-LincolnFollow

Document Type

Article

Date of this Version

11-15-1988

Comments

Published by American Institute of Physics. J. Applied Physics 64, 5577 (1988). ©1988 American Institute of Physics. Permission to use. http://jap.aip.org/jap/.

Abstract

Studies of electronic and magnetic structure and surface reactivity are reported for R₂T₁₄B 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 O₂, H₂, and CO gases are studied. The effects of heat treatment on surface segregation are also reported. Journal of Applied Physics is copyrighted by The American Institute of Physics.