The spin and magnetism in quaternary intermetalic borocarbides RENi2B2C, RE= Pr, Nd, Sm, Gd, Ho, Tm are determined by first-principles density functional theory, using the embedded cluster formalism. Spin polarization of the lattice by the RE moments is examined in detail, and related to observed magnetic ordering phenomena. The observed superconductivity and regions of coexistence with antiferromagnetism are discussed in terms of the lattice polarization, magnitude of moments, and differences in interatomic distances.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Energy Engineering and Power Technology
- Electrical and Electronic Engineering