Band Modes of Hydrogen in the bcc Metals Nb, V, and Ta

Abstract
A calculation of the frequency spectrum of the band modes of hydrogen located at a tetrahedral interstitial site shows a strong resonantlike peak with very little isotope effect. This mode was observed by neutron scattering in NbH0.05 at 3.8 THz. The band modes provide a mechanism for classical diffusion with low activation energies.