TY - JOUR
T1 - Magnetic interactions in chevrel phase ternary compounds
AU - Jarlborg, T.
AU - Freeman, A. J.
N1 - Funding Information:
We are grateful to B. Dunlap for helpful discussions, encouragement and support and to F. Y. Fradin, D. D. Koelling, W. Pickett and G. Shenoy for helpful discussions. Work was supported by the AFOSR (grant No. 76-2948), the NSF (grant Nos. DMR 77-23776 and DMR 77-22646 and through the Northwestern University Materials Research Center, NSF grant No. 76-80847), and the DOE.
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
AN - SCOPUS:4243204654
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 -