Indirect-to-direct bandgap transition in GaP semiconductors through quantum shell formation on ZnS nanocrystals

Hongjoo Shin, Doosun Hong, Hyunjin Cho, Hanhwi Jang, Geon Yeong Kim, Kyeong Min Song, Min Jae Choi, Donghun Kim, Yeon Sik Jung

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Although GaP, a III-V compound semiconductor, has been extensively utilized in the optoelectronic industry for decades as a traditional material, the inherent indirect bandgap nature of GaP limits its efficiency. Here, we demonstrate an indirect-to-direct bandgap transition of GaP through the formation of quantum shells on the surface of ZnS nanocrystals. The ZnS/GaP quantum shell with a reverse-type I heterojunction, consisting of a monolayer-thin GaP shell grown atop a ZnS core, exhibits a record-high photoluminescence quantum yield of 45.4% in the violet emission range (wavelength = 409 nm), validating its direct bandgap nature. Density functional theory calculations further reveal that ZnS nanocrystals, as the growth platform for GaP quantum shells, play a crucial role in the direct bandgap formation through hybridization of electronic states with GaP. These findings suggest potential for achieving direct bandgaps in compounds that are constrained by their inherent indirect energy gaps, offering a strategy for tailoring energy structures to significantly improve efficiencies in optoelectronics and photovoltaics.

Original languageEnglish
Article number8125
JournalNature Communications
Volume15
Issue number1
DOIs
StatePublished - Dec 2024

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