SKM 2023 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 23: Optical Properties (joint session HL/CPP)
CPP 23.5: Talk
Tuesday, March 28, 2023, 10:45–11:00, POT 112
Optical properties of AgxCu1-xI alloy thin films — •E. Krüger1, M. Seifert2, V. Gottschalch3, H. Krautscheid3, C.S. Schnohr1, S. Botti2, M. Grundmann1, and C. Sturm1 — 1Universität Leipzig, Felix-Bloch-Institut für Festkörperphysik, Germany — 2Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und Optik , Germany — 3Universität Leipzig, Institut für Anorganische Chemie, Germany
Copper iodide (CuI) is a promising wide bandgap semiconductor for applications in transparent optoelectronic devices. In this context, the specific tuning of electrical and optical properties, which can potentially be achieved with ternary alloys such as CuBrxI1-x [1] and AgxCu1-xI [2], is crucial for the development of novel CuI-based devices. In particular, AgxCu1-xI is of great interest because the intrinsic conductivity changes from p-type to n-type with increasing Ag content.
Here we present the bandgap energy and spin-orbit splitting in AgxCu1-xI alloys as a function of alloy composition and temperature, studied by a combination of experimental and computational methods. The non-linear bandgap dependence on Ag content can be described by a quadratic bowing parameter of 0.54 eV and is dominated by charge carrier redistribution effects in the presence of unequal element-specific bond lengths. The slight increase of the spin-orbit splitting from 640 meV for CuI to about 790 meV for AgI is discussed in terms of decreasing p-d hybridization of the valence bands at the Γ-point.
[1] N. Yamada et al., Adv. Funct. Mater. 30, 2003096 (2020)
[2] A. Annadi and H. Gong, Appl. Mater. Today 20, 100703 (2020)