title: Formation of NaCl-type monodeuteride LaD by the disproportionation reaction of LaD2.
abstract: Previous x-ray diffraction measurements revealed the pressure-induced decomposition of an fcc LaH2.3 into H-rich and H-poor fcc phases around 11 GPa. The present neutron diffraction measurements on LaD2 confirm the formation of NaCl-type LaD as a counterpart of the D-rich LaD2+δ by disproportionation. First-principles enthalpy and lattice dynamic calculations demonstrate that the NaCl-type LaH is stabilized at high pressures and can be recovered at ambient conditions. Finding the NaCl-type LaH will pave the way for investigations on the site-dependent nature of hydrogen-metal interactions.
authors.affiliation: Quantum Beam Science Directorate, Japan Atomic Energy Agency, Hyogo 679-5148, Japan. machida@spring8.or.jp
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authors.lastname: Machida
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authors.lastname: Ikeda
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authors.lastname: Ichikawa
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authors.lastname: Kojima
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authors.lastname: Kim