Jahn-Teller resonance states in the Vb metal hydrides
A hamiltonian with a localized Jahn-Teller electron-phonon interaction plus a band-coupling term belonging to a metal cluster state adjacent to interstitial hydrogen in the Vb metals is presented. It is shown that in a low-frequency approximation, this hamiltonian is analogous to the Anderson Hamiltonian for magnetic impurities in metals. The role of hydrogen in triggering the Jahn-Teller instability is explained in the context of the Hartree-Fock solutions of the low-frequency hamiltonain, using a phase diagram in the Hartree-Fock parameter space. An elastic susceptibility expression is derived and compared with an observed elastic relaxation. The empirical connection of the Jahn-Teller distortion to the observed elastic dipole tensor is reconsidered.
- Research Organization:
- Mound Facility, Miamisburg, OH (USA)
- DOE Contract Number:
- AC04-76DP00053
- OSTI ID:
- 5482626
- Report Number(s):
- MLM-2904(OP); CONF-820325-3; ON: DE82008462
- Country of Publication:
- United States
- Language:
- English
Similar Records
Quasimolecular Jahn-Teller resonance states in the bcc metallic hydrides of vanadium, niobium, and tantalum
Electron-electron interaction for the dynamical Jahn-Teller effect
Related Subjects
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
ELECTRONIC STRUCTURE
HARTREE-FOCK METHOD
HYDRIDES
HYDROGEN COMPOUNDS
JAHN-TELLER EFFECT
NIOBIUM COMPOUNDS
NIOBIUM HYDRIDES
TANTALUM COMPOUNDS
TANTALUM HYDRIDES
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS
VANADIUM HYDRIDES