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Structural relations between two ground states of NaV$$_{2}$$O$$_{5}$$ under high pressure; A Synchrotron X-ray diffraction study

Owada, Kenji; Fujii, Yasuhiko; Muraoka, Jiro*; Nakao, Hironori*; Murakami, Yoichi; Noda, Yukio*; Osumi, Hiroyuki*; Ikeda, Naoshi*; Shobu, Takahisa ; Isobe, Masahiko*; Ueda, Yutaka*

Structural relations between two ground states of the ANNNI (Axial Next Nearest Neighbor Ising) compound NaV$$_{2}$$O$$_{5}$$, C$$_{1/4}$$- and C$$_{0}$$-phases below and above the transition pressure $$P_{rm C}$$ = 1 GPa, were investigated by X-ray diffraction and scattering techniques. The structure of the C$$_{0}$$-phase is well explained by the $$A$$($$A'$$) pattern which is one of four layers ($$AAA'A'$$) of the C$$_{1/4}$$-phase, however, the amount of the atomic shifts under the conditions 1.6 GPa and 6 K is 27% that under ambient pressure. On the other hand, resonant X-ray scattering showed that the charges are disproportionated under high pressure. Based on these facts, it was concluded that charge disproportionation corresponds to the Ising variable in NaV$$_{2}$$O$$_{5}$$, where the atomic shifts are regarded as linearly coupled to the Ising spins. These results lead to the hypothesis that the competitive interactions between the Ising spins may result from the Ising spin-phonon coupling.

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Category:Materials Science, Multidisciplinary

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