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Analysis of $$f$$-$$p$$ model for octupole ordering in NpO$$_2$$

Kubo, Katsunori ; Hotta, Takashi

In order to examine the origin of octupole ordering in NpO$$_2$$, we propose a microscopic model constituted of neptunium $$5f$$ and oxygen $$2p$$ orbitals. To study multipole ordering, we derive effective multipole interactions from the $$f$$-$$p$$ model by using the fourth-order perturbation theory in terms of $$p$$-$$f$$ hopping integrals. Analyzing the effective model numerically, we find a tendency toward $$Gamma_{5u}$$ antiferro-octupole ordering.

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Category:Materials Science, Multidisciplinary

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