Affordable Access

Publisher Website

Electronic structures of Laves phase compounds

Authors
Journal
Journal of Magnetism and Magnetic Materials
0304-8853
Publisher
Elsevier
Publication Date
Volume
70
Identifiers
DOI: 10.1016/0304-8853(87)90355-6
Disciplines
  • Physics

Abstract

Abstract The electronic structures of Laves phase compounds AB 2 (A = Y, Zr, Nb; B = Cr, Mn, Co, Ni) were investigated systematically by the LMTO method within the framework of the LSD approximation. Comparing the calculated total energy for hypothetical para-, ferro-, and antiferromagnetic state with the C14 and the C15 structure, the theoretical predictions are in good agreement with the experiments concerning the stability of the crystal structure and the magnetism. The magnetic stability critically depends upon the change of the lattice spacing, which leads to the colorful behaviors of the magnetism in Fe Laves phase compounds and the anomalous volume change in the antiferromagnetic state of YMn 2.

There are no comments yet on this publication. Be the first to share your thoughts.