A low concentration of rare earths (Formula presented) plays an important role in magnetic materials because of their large anisotropy. However, the Curie temperature (Formula presented) has a decreasing trend with increasing Fe concentration in (Formula presented)-Fe compounds. In order to understand the variation of (Formula presented) as a function of iron concentration we carry out self-consistent spin-polarized electronic structure calculations for the sequence (Formula presented) where yttrium is a prototype (Formula presented) element. The exchange interaction parameters are derived using the infinitesimal angle approach. The Monte Carlo simulations based on the Heisenberg Hamiltonian are carried out to derive (Formula presented) of Y-Fe compounds and results are in very good agreement with experimental data. The changes in the magnetic properties with Fe concentration are analyzed in terms of the local environment and magnetovolume effects.
|Original language||English (US)|
|Number of pages||6|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Jan 1 1998|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics