We report detailed results of ab-initio self-consistent LMTO energy band studies of several Chevrel phase ternaries, EuMo6S8 and SnMo6S8. In these unique calculations, all electrons of the full 15 atoms/unit cell are treated explicitly with a self-consistent Hedin-Lundqvist exchange and correlation potential in the relativistic Dirac equation but without spin-orbit coupling. As in our earlier work on the rare-earth ternary borides, the total and separate (by atom) l-decomposed contributions to the density of states (which show the Eu atoms to be magnetically isolated) are used to discuss their magnetic and superconducting properties.
ASJC Scopus subject areas
- Condensed Matter Physics