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Title: Electronic structure, magnetic properties, and magnetostructural transformations in rare earth dialuminides

We report electronic structure, magnetic properties, and magnetostructural transformations of selected rare earth dialuminides calculated by using local spin density approximation (LSDA), including the Hubbard U parameter (LSDA + U) approach. Total energy calculations show that CeAl{sub 2} and EuAl{sub 2} adopt antiferromagnetic (AFM) ground states, while dialuminides formed by other magnetic lanthanides have ferromagnetic (FM) ground states. The comparison of theoretical and experimental magnetic moments of CeAl{sub 2} indicates that the 4f orbital moment of Ce in CeAl{sub 2} is quenched. Theoretical calculations confirm that Eu in EuAl{sub 2} and Yb in YbAl{sub 2} are divalent. PrAl{sub 2} exhibits a tetragonal distortion near FM transition. HoAl{sub 2} shows a first order magnetostructural transition while DyAl{sub 2} shows a second order transformation below magnetic transition. The dialuminides formed by Nd, Tb, and Er are simple ferromagnets without additional anomalies in the FM state.
Authors:
 [1] ; ;  [1] ;  [2]
  1. The Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011-3020 (United States)
  2. (United States)
Publication Date:
OSTI Identifier:
22273787
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM; ANTIFERROMAGNETISM; APPROXIMATIONS; ATOMIC FORCE MICROSCOPY; CERIUM; COMPARATIVE EVALUATIONS; ELECTRONIC STRUCTURE; EUROPIUM; FERROMAGNETISM; GROUND STATES; INTERMETALLIC COMPOUNDS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; PHASE TRANSFORMATIONS; SPIN; YTTERBIUM