Magnetic interactions in Chevrel phase ternary compounds Page: 2 of 9
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Magnetic Interactions in Chevrel Phase Ternary Compounds
T. Jarlborg* and A.J. Freeman*,+
*Physics Department and Materials Research Center, Northwestern University
Evanston, IL 60201, U.S.A.
+Argonne National Laboratory, Argonne, IL 60439, U.S.A.
Abstract
We report detailed results of ab-initio self-consistent LMTO
energy band studies of several Chevrel phase ternaries, EuMo^Sg
and SnMo^S.. In these unique calculations, all electrons of the
6 o
full 15 atoms/unit cell are treated explicitly with a self-con-
sistent 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) i-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.
The discovery that the ternary compounds of the rhodium borides, MRh.B, ,
4 4
and the Chevrel phase molybodenum chalcogenides, MMocS (or Se ), [where M
DO O
is a rare-earth metal or Sn, Pb, Cu, Ag, etc. in the second case] exhibit
(i) superconductivity and/or magnetism including (ii) the co-existence of
the two and (iii) re-entrant magnetism in several important systems has gen-
erated great interest in the origin of these phenomena both experimentally
and theoretically. Experiments on these systems have far outstripped theore-
tical understanding and have generated numerous unsolved questions.
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Jarlborg, T. & Freeman, A.J. Magnetic interactions in Chevrel phase ternary compounds, article, January 1, 1979; Illinois. (https://digital.library.unt.edu/ark:/67531/metadc1093491/m1/2/: accessed April 25, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.