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arXiv 1302.3989cond-mat.str-el
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焦绿石Cd2Os2O7的磁态源于配体畸变和长程晶向各向异性的强烈竞争

Magnetic state of pyrochlore Cd2Os2O7 emerging from strong competition of ligand distortions and longer-range crystalline anisotropy

Nikolay A. Bogdanov, Rémi Maurice, Ioannis Rousochatzakis, Jeroen van den Brink, Liviu Hozoi

摘要:

通过多体量子化学计算,我们研究了两种结构效应-局部配体畸变和各向异性Cd离子配位-对Cd_2Os_2O_7,自旋S=3/2烧绿石磁态的作用。我们发现,这些影响强烈竞争,使磁相互作用和订购至关重要地依赖于这些几何特征。如果没有三角畸变,则会产生大的易面磁各向异性。然而,它们的存在反转了零场分裂的符号,并导致了大的易轴各向异性(D = -6.8 meV),这与反铁磁交换相互作用(J = 6.4 meV)一起稳定了全进/全出磁序。这里揭示的竞争是烧绿石磁铁的一般特征。

英文摘要:

By many-body quantum-chemical calculations, we investigate the role of two structural effects - local ligand distortions and the anisotropic Cd-ion coordination - on the magnetic state of Cd2Os2O7, a spin S=3/2 pyrochlore. We find that these effects strongly compete, rendering the magnetic interactions and ordering crucially depend on these geometrical features. Without trigonal distortions a large easy-plane magnetic anisotropy develops. Their presence, however, reverses the sign of the zero-field splitting and causes a large easy-axis anisotropy (D = -6.8 meV), which in conjunction with the antiferromagnetic exchange interaction (J = 6.4 meV) stabilizes an all-in/all-out magnetic order. The competition uncovered here is a generic feature of pyrochlore magnets.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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