Journal Article Emergent odd-parity multipoles and magnetoelectric effects on a diamond structure : Implication for the 5d transition metal oxides AOsO(4) (A = K, Rb, and Cs)

Hayami, Satoru  ,  Kusunose, Hiroaki  ,  Motome, Yukitoshi

97 ( 2 )  , p.24414 , 2018-01-17 , American Physical Society (APS)
We report our theoretical predictions on the linear magnetoelectric (ME) effects originating from odd-parity multipoles associated with spontaneous spin and orbital ordering on a diamond structure. We derive a two-orbital model for d electrons in e(g) orbitals by including the effective spin-orbit coupling which arises from the mixing between e(g) and t(2g) orbitals. We show that the model acquires a net antisymmetric spin-orbit coupling once staggered spin and orbital orders occur spontaneously. The staggered orders are accompanied by odd-parity multipoles: magnetic monopole, quadrupoles, and toroidal dipoles. We classify the types of the odd-parity multipoles according to the symmetry of the spin and orbital orders. Furthermore, by computing the ME tensor using the linear response theory, we show that the staggered orders induce a variety of the linear ME responses. We elaborate all possible ME responses for each staggered order, which are useful to identify the order parameter and to detect the odd-parity multipoles by measuring the ME effects. We also elucidate the effect of lowering symmetry by a tetragonal distortion, which leads to richer ME responses. The implications of our results are discussed for the 5d transition metal oxides, AOsO(4) (A = K, Rb, and Cs), in which the order parameters are not fully identified.

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