Magnetic phase diagram of Ca2-xSrxRuO4 governed by structural distortions -: art. no. 020509

被引：133

作者：

Fang, Z

Terakura, K

机构：

[1] Angstrom Technol Partnership, JRCAT, Tsukuba, Ibaraki 3050046, Japan

[2] Natl Inst Adv Ind Sci & Technol, JRCAT, Tsukuba, Ibaraki 3058562, Japan

[3] AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3050046, Japan

来源：

PHYSICAL REVIEW B | 2001年 / 64卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.64.020509

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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 the RuO6 octahedron are responsible for the ferro- and antiferromagnetism, 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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页数：4

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