Long-range magnetic interaction and frustration in double perovskite Sr$_{2}$NiIrO$_{6}$

Xuedong Ou; Zhengwei Li; Fengren Fan; Hongbo Wang; Hua Wu

doi:10.1038/srep07542

paper

Long-range magnetic interaction and frustration in double perovskite Sr $_{2}$ NiIrO $_{6}$

arXiv:1409.1688 · doi:10.1038/srep07542

Abstract

Sr $_{2}$ NiIrO $_{6}$ would be a ferromagnetic (FM) insulator in terms of the common superexchange mechanism between the first nearest neighboring (1NN) magnetic ions Ni $^{2 +}$ ( $t_{2 g}^{6} e_{g}^{2}$ ) and Ir $^{6 +}$ ( $t_{2 g}^{3}$ ). However, the observed antiferromagnetic (AF) order questions this viewpoint. In this work, we present first-principles calculations and find that while the 1NN Ni $^{2 +}$ -Ir $^{6 +}$ exchange is indeed FM, the 2NN and 3NN couplings in the fcc Ir (and Ni) sublattice are AF. Moreover, the 2NN AF Ir-Ir coupling turns out to be even stronger than the 1NN FM Ni-Ir coupling, thus giving rise to a magnetic frustration. Sr $_{2}$ NiIrO $_{6}$ hence becomes a distorted low-temperature antiferromagnet. Naturally, a very similar magnetic property in Sr $_{2}$ ZnIrO $_{6}$ can be explained by the frustrated AF coupling in the fcc Ir $^{6 +}$ sublattice. This work highlights the long-range magnetic interaction of the delocalized $5 d$ electrons, and also addresses why the spin-orbit coupling is ineffective here.

5 pages, 5 figures, 1 table

Long-range magnetic interaction and frustration in double perovskite Sr $_{2}$ NiIrO $_{6}$

Abstract

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Long-range magnetic interaction and frustration in double perovskite Sr2​NiIrO6​

Abstract

References in corpus (5)

Cited by in corpus (6)

Long-range magnetic interaction and frustration in double perovskite Sr $_{2}$ NiIrO $_{6}$