ISSN:
1089-7550
Quelle:
AIP Digital Archive
Thema:
Physik
Notizen:
The band structure and magnetic properties are studied for RFe11TiNx (R=Y, Nd, Sm; x=0,1) rare-earth iron intermetallic compounds using the linear muffin tin orbital with the atomic sphere approximation (LMTO-ASA) method. In order to elucidate the role played by the rare-earth atoms in these compounds, a full electron calculation is performed using a semirelativistic spin-polarized LMTO-ASA method in the local spin density approximation (LSDA) regime. The 4f electrons of the rare-earth atoms are considered to be valence electrons in the self-consistent calculations. For NdFe11TiN, a calculation in which the 4f electrons are treated as core-frozen states is also performed, and is compared with the full electron calculation. The effects of N atoms in these compounds are also discussed.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.358151