摘要
The ultimate transparent electronic devices require complementary and symmetrical pairs of n-type and p-type transparent semiconductors.While several n-type transparent oxide semiconductors like InGaZnO and ZnO are available and being used in consumer electronics,there are practically no p-type oxides that are comparable to the n-type counterpart in spite of tremendous efforts to discover them.Recently,high-throughput screening with the density functional theory calculations attempted to identify candidate p-type transparent oxides,but none of suggested materials was verified experimentally,implying need for a better theoretical predictor.Here,we propose a highly reliable and computationally efficient descriptor for p-type dopability—the hydrogen impurity energy.We show that the hydrogen descriptor can distinguish well-known p-type and n-type oxides.Using the hydrogen descriptor,we screen most binary oxides and a selected pool of ternary compounds that covers Sn^(2+)-bearing and Cu^(1+)-bearing oxides as well as oxychalcogenides.As a result,we suggest La_(2)O_(2)Te and CuLiO as promising p-type oxides.
基金
This work was supported by Electronics and Telecommunications Research Institute(ETRI)grant funded by the Korean government[17ZB1500,Development of oxide semiconductor materials,photonic integrated circuit,and packaging for high thermal dissipation]and Creative Materials Discovery Program through the National Research Foundation of Korea(NRF)funded by Ministry of Science and ICT(2017M3D1A1040689)
The computation was carried out at the KISTI supercomputing center(KSC-2016-C3-0006).
