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Phase separation with inter-site deuteron transfer in LaD$$_{2}$$

Aoki, Katsutoshi; Machida, Akihiko; Honda, Mitsunori   ; Hattori, Takanori   ; Sano, Asami   ; Watanuki, Tetsu; Katayama, Yoshinori; Komatsu, Kazuki*; Arima, Hiroshi; Otomo, Toshiya*; Tsubota, Masami*; Ichikawa, Takayuki*; Kojima, Yoshitsugu*; Oshita, Hidetoshi*; Kim, D. Y.*

Synchrotron X-ray and neutron diffraction measurements have revealed that LaD$$_{2}$$ undergoes phase separation at high pressure with the relocation of deuterium atoms in the interstitial sites of La metal lattice. Synchrotron X-ray and neutron experiments were made at BL22XU, SPring-8 and a total scattering device, NOVA, J-PARC. Deuterium atoms, which occupy the tetrahedral sites of the fcc metal lattice in LaD$$_{2}$$, move into the empty octahedral sites at 11 GPa to form LaD and LaD$$_{3}$$ both having fcc metal lattices. Mono-hydride with an NaCl structure, which is common for mono-hydrides of transition metals, is formed in rare-earth metals for the first time. The first-principle calculations showed that LaH$$_{2}$$ is stable at low pressure and it undergoes a phase separation into LaH and LaH$$_{3}$$ at 10 GPa, which is excellent agreement with the experimental results.

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