Artículo
Optical absorption and nonradiative decay mechanism of E′ center in silica
Autor/es | Pacchioni, Gianfranco
Ieranò, Gianluigi Márquez Cruz, Antonio Marcial |
Departamento | Universidad de Sevilla. Departamento de Química Física |
Fecha de publicación | 1998 |
Fecha de depósito | 2016-11-15 |
Publicado en |
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Resumen | We report ab initio configuration interaction calculations on the optical transitions of the E′ center, a hole trapped at an oxygen vacancy, ( - O)3Si• +(O - )3, in silica. We found two competing excitation mechanisms: (1) ... We report ab initio configuration interaction calculations on the optical transitions of the E′ center, a hole trapped at an oxygen vacancy, ( - O)3Si• +(O - )3, in silica. We found two competing excitation mechanisms: (1) promotion of one electron from an O(2p) valence band orbital to the singly occupied Si dangling bond; (2) charge transfer (CT) transition from ( - O)3Si• to +Si(O - )3. The two excitations occur at similar energies, ≈5.8-6 eV (5.85 eV in the experiment), but only the CT has a strong intensity. The excitation is followed by a complex nonradiative decay process which may explain the absence of luminescence for this center |
Cita | Pacchioni, G., Ieranò, G. y Márquez Cruz, A.M. (1998). Optical absorption and nonradiative decay mechanism of E′ center in silica. Physical Review Letters, 81 (2), 377-380. |
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