The nitrogenation of rare-earth-transition-metal compounds (R2M17) more than doubles the Curie temperature (TC) of iron-rich compounds but lowers TC of cobalt-rich compounds. Self-consistent spin-polarized electronic-structure calculations are carried out to understand this unusual behavior of TC. TC is calculated using the Heisenberg model and finite-size scaling in Monte Carlo simulations. The calculated values of TC are in very good agreement with the experimental data.
ASJC Scopus subject areas
- Physics and Astronomy(all)