Speaker
Allen Scheie
(Los Alamos National Laboratory)
Description
Vibronic states are frequently observed in neutron scattering when excited crystal electric field (CEF) levels and phonons are in the same energy range. Typically this coupling is modeled phenomenologically. Here we successfully model the phonon-CEF coupling from first principles using density functional theory and an electrostatic point charge model. We find we are able to account for the observed spectroscopic broadening in several Ce materials, and account for mysterious extra modes found at high energies.
| Topical Area | Hard matter: quantum, electronic, semiconducting materials |
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Author
Allen Scheie
(Los Alamos National Laboratory)
Co-authors
Dr
Caitlin Kengle
(Los Alamos National Laboratory)
Dr
Daniel Rehn
(Los Alamos National Laboratory)
Dr
Sabrina Li
(Los Alamos National Laboratory)
Dr
Wolfgang Simeth
(Los Alamos National Laboratory)
