Magnetic frustration in α-NaMnO2 and CuMnO2

被引：16

作者：

Jia, Ting ^{[1
]}

Zhang, Guoren ^{[1
]}

Zhang, Xiaoli ^{[1
]}

Guo, Ying ^{[1
]}

Zeng, Zhi ^{[1
]}

Lin, H. Q. ^{[2
,3
]}

机构：

[1] Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, Hefei 230031, Peoples R China

[2] Chinese Univ Hong Kong, Dept Phys, Shatin, Hong Kong, Peoples R China

[3] Chinese Univ Hong Kong, Inst Theoret Phys, Shatin, Hong Kong, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2011年 / 109卷 / 07期

关键词：

POLARIZATION;

D O I：

10.1063/1.3536533

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The magnetic and electronic properties of alpha-NaMnO2 and delafossite CuMnO2 are investigated using a full-potential linearized augmented plane wave method. For the monoclinic structure at room temperature, CuMnO2 behaves like a frustrated spin-lattice. For the triclinic structure at low temperature, the obtained magnetic configurations of the lowest energy for both alpha-NaMnO2 and CuMnO2 are consistent with experiments. However, the exchange constants are all positive. This reveals that the magnetic frustration is only partially relieved at low temperature. It is also found that the Mn3+ ions are in a high-spin state. Taking into account the on-site Coulomb correlations, our results show that alpha-NaMnO2 and CuMnO2 are charge-transfer insulators. (C) 2011 American Institute of Physics. [doi:10.1063/1.3536533]

引用

页数：3

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