作为一维反铁磁链有序排列的氧化铜CuO磁性超结构。

Magnetic superstructures of cupric oxide CuO as ordered arrangements of one-dimensional antiferromagnetic chains.

作者信息

Koo H J, Whangbo M H

机构信息

Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA.

出版信息

Inorg Chem. 2003 Feb 24;42(4):1187-92. doi: 10.1021/ic020576k.

DOI:10.1021/ic020576k

PMID:12588156

Abstract

In cupric oxide CuO, each Cu(2+) ion has 12 nearest-neighbor Cu(2+) ions grouped into six pairs related by inversion symmetry. The relative strengths of the Cu-O-Cu superexchange interactions in cupric oxide CuO were estimated by spin dimer analysis to confirm that the strongest superexchange interactions form one-dimensional antiferromagnetic chains along the [101] direction, and the remaining interactions are weak. We analyzed ordered arrangements of these one-dimensional antiferromagnetic chains to examine why the antiferromagnetic phase transition of CuO below 212.5 K adopts a (2a, b, 2c) superstructure. The local spin arrangement around each Cu(2+) ion is more balanced in the ordered spin structures leading to a (2a, b, 2c) supercell than in any other ordered spin structures.

摘要

在氧化铜CuO中，每个Cu(2+)离子有12个最近邻的Cu(2+)离子，它们被分成通过反演对称相关的六对。通过自旋二聚体分析估计了氧化铜CuO中Cu - O - Cu超交换相互作用的相对强度，以确认最强的超交换相互作用沿着[101]方向形成一维反铁磁链，其余相互作用较弱。我们分析了这些一维反铁磁链的有序排列，以研究为什么CuO在212.5 K以下的反铁磁相变采用(2a, b, 2c)超结构。与任何其他有序自旋结构相比，在导致(2a, b, 2c)超晶胞的有序自旋结构中，每个Cu(2+)离子周围的局部自旋排列更加平衡。