On the role of conduction band states in forming of electron negative-U centres
Klinger M.I., Taraskin S.N.
Strong electron self-trapping of a bare state with energy located within the conduction band is investigated. Interaction of the "self-trapping" state with both conduction and valence band states are taken into account. These interactions are shown to give rise to variations of the self-trapping level occupation and can result in double-well and even triple-well adiabatic potentials of the system in question. The dependence of the correlation energy on the "rigidity" of the atomic configuration is found to be non-mono tonic, resulting in a minimum of the correlation energy about of the gap width.
Home
![](/ps/286/article_4616_800_head.png "<b>Strong electron self-trapping of a bare state with energy located within the conduction band is investigated. Interaction of the "self-trapping" state with both conduction and valence band states are taken into account. These interactions are shown to give rise to variations of the self-trapping level occupation and can result in double-well and even triple-well adiabatic potentials of the system in question. The dependence of the correlation energy on the "rigidity" of the atomic configuration is found to be non-mono tonic, resulting in a minimum of the correlation energy about of the gap width.</b>")