Abstract
The potential-energy surface of hydrogen in \ensuremath{\alpha}-${\mathrm{YH}}_{\mathit{x}}$ is obtained from first-principles total-energy calculations for the case of ${\mathrm{YH}}_{0.5}$. Results on the localized vibration frequencies of hydrogen, the splitting of the hydrogen energy level, and the activation energy for hydrogen diffusion are presented and compared with available experimental data.
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