Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 1579-1580 |
| Number of pages | 2 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 15-18 |
| Issue number | PART 3 |
| DOIs | |
| Publication status | Published - 1980 |
Fingerprint
ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Magnetic interactions in chevrel phase ternary compounds. / Jarlborg, T.; Freeman, Arthur J.
In: Journal of Magnetism and Magnetic Materials, Vol. 15-18, No. PART 3, 1980, p. 1579-1580.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Magnetic interactions in chevrel phase ternary compounds
AU - Jarlborg, T.
AU - Freeman, Arthur J
PY - 1980
Y1 - 1980
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=4243204654&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=4243204654&partnerID=8YFLogxK
U2 - 10.1016/0304-8853(80)90416-3
DO - 10.1016/0304-8853(80)90416-3
M3 - Article
VL - 15-18
SP - 1579
EP - 1580
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - PART 3
ER -