Magnetic Phase Diagram of Ca2-xSrxRuO4 Governed by Structural Distortions
Abstract
We constructed, by the first-principles calculations, a magnetic phase diagram of Sr2RuO4 in the space spanned by structural distortions. Our phase diagram can qualitatively explain the experimental one for Ca2-xSrxRuO4. We found that the rotation and the tilting of RuO6 octahedron are responsible for the ferro- and antiferro-magnetism, respectively, while the flattening of RuO6 is the key factor to stabilize those magnetic ground states. Our results imply that the magnetic and the structural instabilities in Sr2RuO4 are closely correlated cooperatively rather than competitively.
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