Jahn-Teller resonance states in theVbmetal hydrides: A model calculation

A simple tight-binding model representing hydrogen in the $\mathrm{V}b$ metals and including a special electron-phonon interaction is shown to give a molecular Jahn-Teller resonance state for physically reasonable values of the various energy parameters. This unusual resonance state is pinned to the shell of metal atoms adjacent to hydrogen by an effective Coulombic attraction that exists because of the nearly equal but opposite electron displacements on that shell, caused by the direct interaction of hydrogen on the one hand and by the Jahn-Teller interaction on the other. The mutual orthogonality of these two interactions implies that the Jahn-Teller state is an intrinsic feature of the host metal.