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HL: Fachverband Halbleiterphysik
HL 40: Oxide Semiconductors: Transport and Spectroscopy
HL 40.11: Vortrag
Donnerstag, 12. März 2026, 12:15–12:30, POT/0251
ZnM2O4 (M = Co, Rh, Ir) spinels as potential p-type transparent conducting oxides — •Daniel Fritsch — Institute of Physics and Astronomy, University of Potsdam, Karl-Liebknecht-Str. 24/25, 14476 Potsdam, Germany
ZnM2O4 (M = Co, Rh, Ir) spinels are under investigation as potential p-type transparent conducting oxides (TCOs) [1]. Here we extend our previous investigation of ZnRh2O4 into the whole series of ZnM2O4 (M = Co, Rh, Ir) spinels.
To this end, we perform first-principles calculations based on density functional theory employing a recently developed self-consistent hybrid exchange and correlation functional [2], and compare the results to more standard HSE06 hybrid functional calculations. In order to judge the results on the electronic and optical properties, additional calculations based on many-body perturbation theory, i.e. G0W0 calculations, have been performed and allow for a more detailed analysis of the applicability of ZnM2O4 (M = Co, Rh, Ir) spinels as potential p-type TCOs.
The obtained structural, electronic, and optical properties will be discussed alongside earlier experimental and theoretical investigations, and will open a pathway to potential applications of ZnM2O4 (M = Co, Rh, Ir) spinels.
[1] D. Fritsch, Electron. Mater. 2, 504 (2021).
[2] D. Fritsch, B. Morgan, and A. Walsh, Nanoscale Res. Lett. 12, 19 (2017).
Keywords: Transparent conducting oxides; Density functional theory; Spinel oxides; Hybrid functional