Antiferromagnetic vs ferromagnetic interactions and spin-glass-like behavior in ruthenates

Details Antiferromagnetic vs ferromagnetic interactions and spin-glass-like behavior in ruthenates Antiferromagnetic vs ferromagnetic interactions and spin-glass-like behavior in ruthenates

2002-09-16

arxiv.org/abs/cond-mat/0209330v1

Physics

Condensed Matter

Materials Science

5 pages, 3 figures. Solid state communications (in press)

Scientific paper

10.1016/S0038-1098(02)00472-6

We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO$_3$ in para, ferro, and $A$-, $C$-, and $G$-type antiferromagnetic states. Magnetic phase-diagram data for Sr$_{1-x}$Ca$_x$RuO$_3$ at 0 K are presented. Neutron diffraction measurement combined with total energy calculations show that spin-glass behavior with short-range antiferromagnetic interactions rules in CaRuO$_3$. The substitution of Sr by Ca in SrRuO$_3$ decreases the ferromagnetic interaction and enhances the $G$-type antiferromagnetic interaction; the $G$-AF state is found to stabilize around $x$ = 0.75 consistent with experimental observations. Inclusion of spin-orbit coupling is found to be important in order to arrive at the correct magnetic ground state in ruthenates.

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