文章基本信息

标题：Long-range magnetic interaction and frustration in double perovskites Sr₂NiIrO₆ and Sr₂ZnIrO₆
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作者：Xuedong Ou ; Zhengwei Li ; Fengren Fan 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2014
卷号：4
DOI：10.1038/srep07542
出版社：Springer Nature
摘要：One often counts the nearest neighbouring (NN) exchange interactions for understanding of a magnetic insulator. Here we present first-principles calculations for the newly synthesized double perovskites Sr₂NiIrO₆ and Sr₂ZnIrO₆, and we find that the 2NN Ir-Ir antiferromagnetic coupling is even stronger than the 1NN Ni-Ir ferromagnetic one. Thus, the leading antiferromagnetic interactions in the fcc Ir sublattice give rise to a magnetic frustration. Sr₂NiIrO₆ and Sr₂ZnIrO₆ hence appear very similarly as a distorted low-temperature antiferromagnet (probably, of type III). This work highlights the long-range magnetic interactions of the delocalized 5d electrons, and it also addresses why the spin-orbit coupling is ineffective here.