Spin-canting in lightly electron-doped CaMnO3

被引：12

作者：

Ohnishi, Hiromasa ^{[1
,2
]}

Kosugi, Taichi ^{[1
]}

Miyake, Takashi ^{[1
]}

Ishibashi, Shoji ^{[1
,2
]}

Terakura, Kiyoyuki ^{[1
,2
,3
]}

机构：

[1] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst NRI RICS, Tsukuba, Ibaraki 3058568, Japan

[2] CREST, JST, Kawaguchi, Saitama 3320012, Japan

[3] Japan Adv Inst Sci & Technol JAIST, Res Ctr Integrated Sci RCIS, Nomi, Ishikawa 9231292, Japan

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 16期

关键词：

DOUBLE-EXCHANGE;

D O I：

10.1103/PhysRevB.85.165128

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The origin of the weak ferromagnetism that is observed in lightly electron-doped CaMnO3 is studied by means of the noncollinear version of the local spin density approximation (LSDA). We show that spin-canting in the G-type antiferromagnetic structure is realized by electron-doping, and the estimated canting angle is in good agreement with the experimental value of the Ce-doped CaMnO3. The fact that the results obtained in the LSDA are already quite reasonable implies that the effective d-d Coulomb repulsion is weak in this material. We validate this observation based on the first-principles evaluation of Coulomb and exchange parameters using the constrained random-phase approximation with the maximally localized Wannier functions.

引用

页数：5

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