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- W1990228216 abstract "The energy levels of F centers in cesium halides are calculated variationally using the point-ion lattice approximation with different sets of trial wavefunctions for the ground and the excited states. The effect of the finite size of the lattice ions on these energy levels is then evaluated self-consistently within the framework of a local model pseudopotential approach. This method is then used to obtain the changes in the ion-size effects induced by a substitutional monovalent cation impurity in a nearest neighbour position — the FA center — or a substitutional monovalent anion impurity in the second neighbor position — the FH center. In each case the ion-size effects are calculated for all the trial functions considered. The calculated transition energies are compared with the observed positions of the corresponding optical absorption bands. It is concluded that the results of optical measurements on all the three centers can be accounted for, at least qualitatively, on the basis of a reasonably simple theory. Die Energieniveaus von F-Zentren in Cäsiumhalogeniden werden mit einer Variationsmethode unter Benutzung der Punkt-Ionen-Gitterapproximation mit verschiedenen Sätzen von Testfunktionen für den Grundzustand und die angeregten Zustände berechnet. Der Einfluß der endlichen Größen der Gitterionen auf diese Energieniveaus wird darauf selbstkonsistent im Rahmen einer lokalen Modell-Pseudopotentialmethode berechnet. Diese Methode wird dann benutzt, um die Änderungen der Ionengrößen-Effekte zu erhalten, die durch eine substitutionelle monovalente Kationenstörstelle in einer Nächsten-Nachbar-Position — das FA-Zentrum — oder eine substitutionelle monovalente Anionen-Störstelle in Zweitnächster-Nachbarposition — das FH-Zentrum — induziert werden. In jedem Falle werden die Ionengrößen-Effekte für alle betrachteten Testfunktionen berechnet. Die berechneten Übergangsenergien werden mit den beobachteten Lagen der entsprechende optische Absorptionsbanden verglichen. Es wird geschlossen, daß die Ergebnisse der optischen Messungen an allen drei Zentren wenigstens qualitativ auf der Grundlage einer verhältnismäßig einfachen Theorie erklärbar sind." @default.
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- W1990228216 date "1980-07-01" @default.
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- W1990228216 title "Ion-Size Effects on the Energy Levels of F, FA, and FH Centers in Cesium Halides" @default.
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- W1990228216 doi "https://doi.org/10.1002/pssb.2221000127" @default.
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