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Chin. Phys. B, 2023, Vol. 32(7): 077301    DOI: 10.1088/1674-1056/acac10
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

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

Su-Na Jia(贾素娜)1, Gao-Xian Li(李高贤)1, Nan Gao(高楠)1,2,†, Shao-Heng Cheng(成绍恒)1,2,‡, and Hong-Dong Li(李红东)1,2,§
1 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
2 Shenzhen Research Institute, Jilin University, Shenzhen 518057, China
Abstract  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.
Keywords:  diamond      cubic boron nitride      heterointerface      first principles calculation  
Received:  04 October 2022      Revised:  12 December 2022      Accepted manuscript online:  16 December 2022
PACS:  73.20.-r (Electron states at surfaces and interfaces)  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  81.05.uj (Diamond/nanocarbon composites)  
Fund: Project supported by the Key-Area Research and Development Program of Guangdong Province, China (Grant No. 2020B0101690001) and the National Natural Science Foundation of China (Grant Nos. 51972135 and 52172044).
Corresponding Authors:  Nan Gao, Shao-Heng Cheng, Hong-Dong Li     E-mail:  gaon@jlu.edu.cn;chengshaoheng@jlu.edu.cn;hdli@jlu.edu.cn

Cite this article: 

Su-Na Jia(贾素娜), Gao-Xian Li(李高贤), Nan Gao(高楠), Shao-Heng Cheng(成绍恒), and Hong-Dong Li(李红东) Diamond/c-BN van der Waals heterostructure with modulated electronic structures 2023 Chin. Phys. B 32 077301

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