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Microscopic theory of multipole ordering in NpO$$_2$$

Kubo, Katsunori ; Hotta, Takashi

In order to examine the mysterious ordered phase of NpO$$_2$$ from a microscopic viewpoint, we investigate an $$f$$-electron model on an fcc lattice constructed based on a $$j$$-$$j$$ coupling scheme. First, an effective model with multipole interactions is derived in the strong-coupling limit. Numerical analysis of the model clearly indicates that the interactions for $$Gamma_{4u}$$ and $$Gamma_{5u}$$ moments are relevant to the ground state. Then, by applying mean-field theory to the simplified model including only such interactions, we conclude that longitudinal triple-$$q$$ $$Gamma_{5u}$$ octupole order is realized in NpO$$_2$$ through the combined effects of multipole interactions and anisotropy of the $$Gamma_{5u}$$ moment.

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Category:Materials Science, Multidisciplinary

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