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Report No.
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Crystal structure of NiO under high pressure

Eto, Tetsujiro*; Endo, Shoichi*; Imai, Motoharu*; Katayama, Yoshinori; Kikegawa, Takumi*

The pressure effect on the lattice constant of NiO with the rhombohedral distorted B1 structure was studied up to 141 GPa by ${em in situ}$ angle-dispersive x-ray diffraction using synchrotron radiation and an imaging plate, with reference to a recent theoretical calculation within the density-functional formalism with the local-spin density approcximation. The lattice constant $$a$$ and $$c$$, expressed in the hexagonal lattice, decrease monotonously with increasing pressure. The axial rage $$c/a$$ decreases monotonously with increasing pressure, indicating the enhancement of the rhombohedral distortion. The signiifcant change of $$c/a$$ above 60 GPa suggested by the calculation was not observed.

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