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Gottschalch, Volker
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article
Optical properties of Ag<sub><i>x</i></sub>Cu<sub>1–<i>x</i></sub>I alloy thin films
Abstract
<jats:p> We report on the excitonic transition energy E<jats:sub>0</jats:sub> and spin–orbit split-off energy Δ<jats:sub>0</jats:sub> of γ-Ag<jats:sub> x</jats:sub>Cu<jats:sub>1– x</jats:sub>I alloy thin films studied by using reflectivity measurements at temperatures between 20 K and 290 K. The observed bowing behavior of the E<jats:sub>0</jats:sub> transition as a function of the alloy composition is explained based on first-principles band structure calculations in terms of different physical and chemical contributions within the description of ordered alloys. The spin–orbit coupling is found to increase from a value of 640 meV for CuI to approximately 790 meV for AgI. Furthermore, we show that the temperature-dependent bandgap shift between 20 K and 290 K decreases with increasing Ag-content from 25 meV for CuI to 6 meV for AgI. We attribute this behavior mostly to changes in the contribution of thermal lattice expansion to the bandgap shift. </jats:p>