We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO3 in para, ferro, and A-, C-, and G-type antiferromagnetic states. Magnetic phase-diagram data for Sr1−xCaxRuO3 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 CaRuO3. The substitution of Sr by Ca in SrRuO3 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.
@article{arxiv.cond-mat/0209330,
title = {Antiferromagnetic vs ferromagnetic interactions and spin-glass-like behavior in ruthenates},
author = {P. Ravindran and R. Vidya and P. Vajeeston and A. Kjekshus and H. Fjellvaag and B. C. Hauback},
journal= {arXiv preprint arXiv:cond-mat/0209330},
year = {2009}
}
Comments
5 pages, 3 figures. Solid state communications (in press)