By Topic

Exchange Interaction in Gd _4 Bi _3 and Gd From First-Principles Calculations

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$33 $13
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

2 Author(s)
X. B. Liu ; Phys. Dept., McGill Univ., Montreal, QC, Canada ; Z. Altounian

Electronic structure and exchange interaction have been calculated for the Gd4Bi3 magnetocaloric compound and Gd metal by a local-spin-density- approximation + Hubbard U (LSDA+U) method. In Gd4Bi3 and Gd, the 4f states have little direct contribution to the ferromagnetic coupling. The higher Curie temperature is ascribed to the strong interaction between the Gd 5d and the Bi 6p electrons in the Gd4Bi3 compound. The estimated Curie temperatures from the calculated effective exchange coupling constants based on mean-field approximation are 337 K and 403 K for Gd metal and Gd4Bi3, respectively. These calculated values are comparable with the experimental values of Gd (T C = 294 K) and Gd4Bi3 compound (T C = 332 K).

Published in:

IEEE Transactions on Magnetics  (Volume:45 ,  Issue: 10 )