Formation of NaCl-type monodeuteride LaD by the disproportionation reaction of LaD 2

A. MacHida, M. Honda, T. Hattori, A. Sano-Furukawa, T. Watanuki, Y. Katayama, K. Aoki, K. Komatsu, H. Arima, H. Ohshita, K. Ikeda, K. Suzuya, T. Otomo, M. Tsubota, K. Doi, T. Ichikawa, Y. Kojima, D. Y. Kim

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Abstract

Previous x-ray diffraction measurements revealed the pressure-induced decomposition of an fcc LaH 2.3 into H-rich and H-poor fcc phases around 11 GPa. The present neutron diffraction measurements on LaD 2 confirm the formation of NaCl-type LaD as a counterpart of the D-rich LaD 2+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.

Original languageEnglish
Article number205501
JournalPhysical Review Letters
Volume108
Issue number20
DOIs
Publication statusPublished - 2012 May 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    MacHida, A., Honda, M., Hattori, T., Sano-Furukawa, A., Watanuki, T., Katayama, Y., Aoki, K., Komatsu, K., Arima, H., Ohshita, H., Ikeda, K., Suzuya, K., Otomo, T., Tsubota, M., Doi, K., Ichikawa, T., Kojima, Y., & Kim, D. Y. (2012). Formation of NaCl-type monodeuteride LaD by the disproportionation reaction of LaD 2 Physical Review Letters, 108(20), [205501]. https://doi.org/10.1103/PhysRevLett.108.205501