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Pressure-induced structural change from hexagonal to fcc metal lattice in scandium trihydride

Omura, Ayako; Machida, Akihiko; Watanuki, Tetsu; Aoki, Katsutoshi; Nakano, Satoshi*; Takemura, Kenichi*

Pressure-induced structural change from hcp to fcc-like metal lattice was investigated for scandium hydride, ScHx, by X-ray diffraction measurement up to 60 GPa at room temperature. Hydride was prepared in a diamond anvil cell (DAC) by compressing the metal foil with fluid hydrogen. The metal foil reacted with fluid hydrogen to form ScH$$_{2}$$ with an fcc metal lattice at about 4 GPa. Up to 5 GPa, fcc ScH$$_{2}$$ changed for the most part to ScH$$_{3}$$ with a hexagonal metal lattice, which persisted to about 25 GPa together with unreacted ScH$$_{2}$$. On further compression, the hcp lattice began to transform towards an fcc-like lattice. The transition completed at about 46 GPa. The successive change in diffraction pattern during the transition was quite similar to that observed for YHx, the transient state was not explained by the coexistence phase of ScH$$_{2}$$ and ScH$$_{3}$$ but able to be interpreted in terms of the gradual change in the sequential stacking of the metal layers.

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