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Formation of NaCl-type mono-deuteride in La-D system at high pressure

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

Formation of an NaCl-type mono-deuteride LaD has been found by neutron diffraction experiments at high pressure. The NaCl-type structure has been reported for alkaline hydrides and transition metal hydrides, but not for rare-earth metal hydrides. The NaCl-type mono-hydride is formed in rare-earth metals for the first time. Lanthanum mono-deuteride is formed as a result of the phase separation of the di-deuteride under high pressure. This result suggests that the three different hydrides, mono-, di-, and tri-hydrides, with the fcc metal lattice are realized. The hydrogen atoms occupy only O-sites, only T-sites and both O-sites and T-sites in the mono-, di-, and tri-hydrides, respectively. Hence, it is expected that the H-M bonding nature is different for each hydride.

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