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Dielectric function of CuBr$ \mathrm{x}$I$ {1-\mathrm{x}}$ alloy thin films by Seifert, Michael; Krüger, Evgeny; Bar, Michael S.; Merker, Stefan; von Wenckstern, Holger; Krautscheid, Harald; Grundmann, Marius; Sturm, Chris; Botti, Silvana is a scholarly article available to read on EtoBox.

What is Dielectric function of CuBr$ \mathrm{x}$I$ {1-\mathrm{x}}$ alloy thin films about?

We study the dielectric function of CuBr$_\mathrm{x}$I$_{1-\mathrm{x}}$ thin film alloys using spectroscopic ellipsometry in the spectral range between 0.7 eV to 6.4 eV, in combination with first-principles calculations based on density functional theory. Through the comparison of theory and experiment, we attribute features in the dielectric function to electronic transitions at specific k-points in the Brillouin zone. The observed bandgap bowing as a function of alloy composition is discussed in terms of different physical and chemical contributions. The band splitting at the top of the valence band due to spin-orbit coupling is found to decrease with increasing Br-concentration, from a value of 660 meV for CuI to 150 meV for CuBr. This result can be understood considering the contribution of copper d-orbitals to the valence band maximum as a function of the alloy composition.

Author

Seifert, Michael; Krüger, Evgeny; Bar, Michael S.; Merker, Stefan; von Wenckstern, Holger; Krautscheid, Harald; Grundmann, Marius; Sturm, Chris; Botti, Silvana

Published

2022

Language

EN