Electronic structure, magnetic properties, and magnetostructural transformations in rare earth dialuminides
- The Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011-3020 (United States)
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.
- OSTI ID:
- 22273787
- Journal Information:
- Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 17 Vol. 115; ISSN JAPIAU; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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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