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Diamond/c-BN van der Waals heterostructure with modulated electronic structures

MetadataDetails
Publication Date2022-12-16
JournalChinese Physics B
AuthorsSuna Jia, Gaoxian Li, Nan Gao, Shaoheng Cheng, Hongdong Li
InstitutionsJilin University, State Key Laboratory of Superhard Materials
Citations2

The structural and electronic properties of (100), (110), and (111) diamond/cubic boron nitride (c-BN) heterostructures are systematically investigated by first principles calculation. The interface between diamond and c-BN shows the weak van der Waals interactions, which is confirmed by the interface distance and interface binding energy. The diamond/c-BN structures are the direct bandgap semiconductors with moderate bandgap values ranging from 0.647 eV to 2.948 eV. This work helps to promote the application of diamond in electronic and optoelectronic devices.