(Formula presented) Fe Mössbauer spectroscopy measurements were performed for the Fe impurities in the substituted compounds R((Formula presented) C (R=Y, Gd, Tb, Dy, Ho, Er). Isomer shifts and quadrupole splittings were obtained; the latter were seen to correlate to the ratio c/a of the lattice constants. Isomer shifts show very similar values for compounds with different rare earths. First-principles density-functional calculations for 71-atom embedded clusters representing the compounds were performed. Quadrupole splittings at the Fe site were obtained from the calculations, and the origin of the trend observed was elucidated.
|Original language||English (US)|
|Number of pages||6|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Jan 1 1997|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics