Temperature dependence of hydrogen site occupancy in Yttrium dihydride

J. A. Goldstone, J. Eckert, P. M. Richards, E. L. Venturini

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Abstract

Neutron inelastic scattering and diffraction techniques were used to determine the temperature dependence of the octahedral site occupancy of hydrogen in YH2.0 between 15 and 420 K. The results show an approximately constant fraction of the hydrogen atoms on octahedral sites up to 200 K followed by a monotonic decrease contrary to intuition and simple theory. This decrease in site disorder with increasing temperature is explained qualitatively by including the different effects of hydrogen at tetrahedral and octahedral sites on the metal lattice entropy and quantitatively by including hydrogen-hydrogen interactions.

Original languageEnglish
Pages (from-to)475-478
Number of pages4
JournalSolid State Communications
Volume49
Issue number5
DOIs
StatePublished - Feb 1984

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    Goldstone, J. A., Eckert, J., Richards, P. M., & Venturini, E. L. (1984). Temperature dependence of hydrogen site occupancy in Yttrium dihydride. Solid State Communications, 49(5), 475-478. https://doi.org/10.1016/0038-1098(84)90667-7