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Tuning the electronic properties and band offset of h-BN/diamond mixed-dimensional heterostructure by biaxial strain.
Qu, Yipu; Xu, Hang; Hu, Jiping; Wang, Fang; Liu, Yuhuai.
Affiliation
  • Qu Y; National Center for International Joint Research of Electronic Materials and Systems, International Joint-Laboratory of Electronic Materials and Systems of Henan Province, College of Electrical and Information Engineering, Zhengzhou University, Zhengzhou, 450001, Henan, People's Republic of China. i
  • Xu H; National Center for International Joint Research of Electronic Materials and Systems, International Joint-Laboratory of Electronic Materials and Systems of Henan Province, College of Electrical and Information Engineering, Zhengzhou University, Zhengzhou, 450001, Henan, People's Republic of China.
  • Hu J; National Center for International Joint Research of Electronic Materials and Systems, International Joint-Laboratory of Electronic Materials and Systems of Henan Province, College of Electrical and Information Engineering, Zhengzhou University, Zhengzhou, 450001, Henan, People's Republic of China.
  • Wang F; National Center for International Joint Research of Electronic Materials and Systems, International Joint-Laboratory of Electronic Materials and Systems of Henan Province, College of Electrical and Information Engineering, Zhengzhou University, Zhengzhou, 450001, Henan, People's Republic of China. i
  • Liu Y; Institute of Intelligence Sensing, Zhengzhou University, Zhengzhou, 450001, Henan, People's Republic of China. iefwang@zzu.edu.cn.
Sci Rep ; 14(1): 9414, 2024 Apr 24.
Article in En | MEDLINE | ID: mdl-38658733
ABSTRACT
The h-BN/diamond mix-dimensional heterostructure has broad application prospects in the fields of optoelectronic devices and power electronic devices. In this paper, the electronic properties and band offsets of hexagonal boron nitride (h-BN)/(H, O, F, OH)-diamond (111) heterostructures were studied by first-principles calculations under biaxial strain. The results show that different terminals could significantly affect the interface binding energy and charge transfer of h-BN/diamond heterostructure. All heterostructures exhibited semiconductor properties. The h-BN/(H, F)-diamond systems were indirect bandgap, while h-BN/(O, OH)-diamond systems were direct bandgap. In addition, the four systems all formed type-II heterostructures, among which h-BN/H-diamond had the largest band offset, indicating that the system was more conducive to the separation of electrons and holes. Under biaxial strain the bandgap values of the h-BN/H-diamond system decreased, and the band type occurred direct-indirect transition. The bandgap of h-BN/(O, F, OH)-diamond system increased linearly in whole range, and the band type only transformed under large strain. On the other hand, biaxial strain could significantly change the band offset of h-BN/diamond heterostructure and promote the application of this heterostructure in different fields. Our work provides theoretical guidance for the regulation of the electrical properties of h-BN/diamond heterostructures by biaxial strain.
Key words

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Sci Rep Year: 2024 Document type: Article

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Sci Rep Year: 2024 Document type: Article
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