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Abstract Bi2O2Se, as a member of bismuth oxychalcogenides, is regarded as a promising candidate for optoelectronic applications, such as phototransistors, photodetectors, pulsed lasers and photodiodes. Throughout the research progress of… Click to show full abstract
Abstract Bi2O2Se, as a member of bismuth oxychalcogenides, is regarded as a promising candidate for optoelectronic applications, such as phototransistors, photodetectors, pulsed lasers and photodiodes. Throughout the research progress of Bi2O2Se, the crystal quality of Bi2O2Se plays an important role. Using the first-principles calculations, we study the influence of Ca, one of the most abundant elements on the earth, doping in Bi2O2Se. We find that Ca doping is easy in Bi2O2Se which further induces substitution point defect CaBi. The presence of CaBi introduces a deep donor level which is favorable for a short carrier lifetime. Thus, Ca doping may be used to improve switching characteristics of Bi2O2Se-based diodes and transistors.
Journal Title: Computational Materials Science
Year Published: 2020
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