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Título: Color centers envisioned as confined quantum systems: the case of F, F' and F+2 centers
Palabras clave: Color centers
semi-continuum model
variational method
confined systems
Fecha de publicación: 31-Jul-2012
Editorial: Revista mexicana de física E
Descripción: Color centers in alkali halides, as well as point defects with dimensions of a few nanometers, have been considered to be confined systems and were studied with a variational formalism within a semi-continuum model. This new approach was applied to the well-known F, F' and F+2 centers, which are assumed to be cavities of a determined shape that can trap one or two electrons. Inside of the cavity, the electron is subject to a constant potential (V0) related to the Madelung energy and outside of it, the potential is Coulomb type due to a continuum polarizable medium. Because the F, F' and F+2confined systems were considered to be hydrogen-like, helium-like and F+2-like molecular ion systems, respectively, the ansatz functions were constructed from wave functions corresponding to these kinds of systems. For these systems, the energy transition (ΔΕ) from the ground state to the first excited state in KCl crystals was calculated and compared with experimental and calculated values obtained from the literature. The ΔΕ behavior is shown for different values of V0. It is worth mentioning that the formalism presented in this work would be useful for both graduate and undergraduate students embarking on the study of some properties of confined quantum systems, or some simple nanostructures as well
Other Identifiers: http://www.scielo.org.mx/scielo.php?script=sci_arttext&pid=S1870-35422008000100004
Aparece en las Colecciones:Revista Mexicana de Física E

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