Physics – Condensed Matter – Materials Science
Scientific paper
2001-03-09
Phys. Rev. B 64, 020509 (2001)
Physics
Condensed Matter
Materials Science
3 figures; accepted by PRB as rapid communication
Scientific paper
10.1103/PhysRevB.64.020509
We constructed, by the first-principles calculations, a magnetic phase diagram of Sr$_{2}$RuO$_4$ in the space spanned by structural distortions. Our phase diagram can qualitatively explain the experimental one for Ca$_{2-x}$Sr$_x$RuO$_4$. We found that the rotation and the tilting of RuO$_6$ octahedron are responsible for the ferro- and antiferro-magnetism, respectively, while the flattening of RuO$_6$ is the key factor to stabilize those magnetic ground states. Our results imply that the magnetic and the structural instabilities in Sr$_2$RuO$_4$ are closely correlated cooperatively rather than competitively.
Fang Zhong
Terakura Kiyoyuki
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