Berlin 2018 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 6: Photovoltaics I

HL 6.9: Talk

Monday, March 12, 2018, 11:45–12:00, EW 203

Identification of transparent p-type conducting non-oxide materials from high-throughput calculations — •Ramya Kormath Madam, Thomas Kühne, and Hossein Mirhosseini — Department of Chemistry, University of Paderborn, Warburger Str. 100, 33098 Paderborn, Germany

Transparent conducting materials (TCMs) have attracted attention owing to their diverse applications. Materials having wide bang gap and low carrier effective mass have been considered as potential TCMs. Transparent conducting oxides (TCOs) have been largely commercialized as n-type TCMs in transistors, UV light emitting diodes, gas sensors, and tandem cells. However, the designing of efficient p-type TCOs are mainly hindered owing to the localized p character of their valence band which results in heavy holes. Hence, it is necessary to search for alternative potential p-type TCMs. In this work, high-throughput calculations were employed to determine the most promising p-type TCMs among chalcogenides. A large computational data set were investigated by data screening. Binary chalcogenides with band gaps > 1.7 eV and hole effective masses < 1 were considered for this study. Defect physics were investigated to probe the p-type performance of these semiconductors.