Chalcogenide Perovskite YScS$_{3}$ as a Potential p-Type Transparent Conducting Material
Han Zhang1,2, Chen Ming2*, Ke Yang3,4, Hao Zeng5, Shengbai Zhang3, and Yi-Yang Sun2*
1School of Materials Science and Engineering, Shandong University, Jinan 250061, China 2State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201899, China 3Department of Physics, Applied Physics & Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, USA 4School of Physics and Electronics, Hunan University, Changsha 410082, China 5Department of Physics, University at Buffalo, The State University of New York, Buffalo, New York 14260, USA
Abstract：Transparent conducting materials (TCMs) have been widely used in optoelectronic applications such as touchscreens, flat panel displays and thin film solar cells. These applications of TCMs are currently dominated by n-type doped oxides. High-performance p-type TCMs are still lacking due to their low hole mobility or p-type doping bottleneck, which impedes efficient device design and novel applications such as transparent electronics. Here, based on first-principles calculations, we propose chalcogenide perovskite YScS$_{3}$ as a promising p-type TCM. According to our calculations, its optical absorption onset is above 3 eV, which allows transparency to visible light. Its hole conductivity effective mass is 0.48$m_{0}$, which is among the smallest in p-type TCMs, suggesting enhanced hole mobility. It could be doped to p-type by group-II elements on cation sites, all of which yield shallow acceptors. Combining these properties, YScS$_{3}$ holds great promise to enhancing the performance of p-type TCMs toward their n-type counterparts.
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2020, Vol. 37 
