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.
ASJC Scopus subject areas
- Physics and Astronomy(all)