Origin of ferrimagnetism and the effect of octahedral tilting in double-perovskite compound Sr2CoRuO6

被引：10

作者：

Ding, Jun ^{[1
]}

Wen, LiWei ^{[1
]}

Liu, Yali ^{[1
]}

Zhang, Ying ^{[2
]}

机构：

[1] Henan Univ Engn, Coll Sci, Zhengzhou 451191, Peoples R China

[2] Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2021年 / 535卷

基金：

中国国家自然科学基金;

关键词：

Sr2CoRuO6; Ferrimagnetism; Octahedral tilting; First-principles calculation; GENERALIZED GRADIENT APPROXIMATION; MAGNETIC-PROPERTIES; SYMMETRY; MAGNETORESISTANCE; EXCHANGE; CRYSTAL; ORDER;

D O I：

10.1016/j.jmmm.2021.168035

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional theory simulations were used to investigate double-perovskite Sr2CoRuO6 for its structure and magnetic properties. Calculated results show that rocksalt B-site order is stable under all the considered ferromagnetic (FM) and antiferromagnetic (AFM) configurations. Moreover, electronic and magnetic properties are strongly coupled to octahedral tilting. The ground state of rocksalt Sr2CoRuO6 is C type AFM with a(0)a(0)c(-) tilt and a 0.72 eV gap between Ru 4d and Co 3d orbitals. Possible reason for the presence of ferrimagnetism is attributed to G type AFM with ferrimagnetic moment of 1 mu B per formula unit.

引用

页数：6

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