The role of conduction band states in forming of electron negative-U centers
M. I. Klinger, S. N. Taraskin
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 nonmonotonic, resulting in a minimum of the correlation energy of the gap width.
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![](/ps/1177/article_17764_800_head.png "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 nonmonotonic, resulting in a minimum of the correlation energy of the gap width.")