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HL: Fachverband Halbleiterphysik

HL 7: Poster I

HL 7.28: Poster

Montag, 27. März 2023, 13:00–15:00, P2/EG

Electronic and optical properties of p-type delafossite transparent conducting oxides: Density Functional Theory calculations — •Moufdi Hadjab^1,2 and Olga Guskova² — ¹Mohamed Boudiaf University of Msila, Msila, Algeria — ²IPF Dresden, Germany

Transparent conducting oxides (TCO) possessing high optical transparency and electrical conductivity have been studied widely due to their applications in optoelectronics. Delafossite materials with chemical formula AIBIIIO2 are among the promising p-type TCOs. In this study, we have investigated physical properties of three novel semiconductors to address some problems related to the photovoltaic industry. The structural, electronic and optical properties of delafossite transparent conducting oxides CuMO2 have been studied using the Full-Potential Linearized Augmented Plan Wave method based on DFT as implemented in Wien2k computational code. The LDA and PBE generalized gradient approximation have been utilized as the exchange-correlation term for calculating the structural and electronic parameters. Moreover, Tran-Blaha modified Beck-Johnson potential has been used to achieve better degree of accuracy in calculations of the electronic and optical properties. The observations have been compared with published theoretical and experimental data. The ternary delafossite transparent conducting oxide compounds can be considered as an alternative material in photovoltaic applications.