Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

doi:10.1088/1674-1056/ac009e

中国物理B ›› 2021, Vol. 30 ›› Issue (7): 77103-077103.doi: 10.1088/1674-1056/ac009e

Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

Ya-Bin Ma(马亚斌)^1,2, Tao Ouyang(欧阳滔)¹, Yuan-Ping Chen(陈元平)^1,2,†, and Yue-E Xie(谢月娥)^1,2,‡

1 School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China;
2 Faculty of Science, Jiangsu University, Zhenjiang 212013, China

收稿日期:2021-04-21 修回日期:2021-05-07 接受日期:2021-05-13 出版日期:2021-06-22 发布日期:2021-07-09
通讯作者: Yuan-Ping Chen, Yue-E Xie E-mail:chenyp@ujs.edu.cn;yueex@ujs.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11874314) and the Natural Science Foundation of Hunan Province, China (Grant No. 2018JJ2377).

Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

Ya-Bin Ma(马亚斌)^1,2, Tao Ouyang(欧阳滔)¹, Yuan-Ping Chen(陈元平)^1,2,†, and Yue-E Xie(谢月娥)^1,2,‡

1 School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China;
2 Faculty of Science, Jiangsu University, Zhenjiang 212013, China

Received:2021-04-21 Revised:2021-05-07 Accepted:2021-05-13 Online:2021-06-22 Published:2021-07-09
Contact: Yuan-Ping Chen, Yue-E Xie E-mail:chenyp@ujs.edu.cn;yueex@ujs.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11874314) and the Natural Science Foundation of Hunan Province, China (Grant No. 2018JJ2377).

摘要/Abstract

摘要： Owing to the interaction between the layers, the twisted bilayer two-dimensional (2D) materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in current physical research community. By means of first-principles and tight-binding model calculations, the electronic properties of twisted bilayer biphenylene carbon (BPC) are systematically investigated in this paper. The results indicate that the effect of twist will not only leads to a phase transition from semiconductor to metal, but also an adjustable band gap in BPC (0 meV to 120 meV depending on the twist angle). Moreover, unlike the twisted bilayer graphene (TBG), the flat bands in twisted BPC are no longer restricted by “magic angles” i.e., abnormal flat bands could be appeared as well at several specific large angles in addition to the small angles. The charge density of these flat bands possesses different local modes, indicating that they might be derived from different stacked modes and host different properties. The exotic physical properties presented in this work foreshow twisted BPC a promising material for the application of terahertz and infrared photodetectors and the exploration of strong correlation.

关键词: twisted bilayer biphenylene carbon, adjustable band gap, flat bands

Abstract: Owing to the interaction between the layers, the twisted bilayer two-dimensional (2D) materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in current physical research community. By means of first-principles and tight-binding model calculations, the electronic properties of twisted bilayer biphenylene carbon (BPC) are systematically investigated in this paper. The results indicate that the effect of twist will not only leads to a phase transition from semiconductor to metal, but also an adjustable band gap in BPC (0 meV to 120 meV depending on the twist angle). Moreover, unlike the twisted bilayer graphene (TBG), the flat bands in twisted BPC are no longer restricted by “magic angles” i.e., abnormal flat bands could be appeared as well at several specific large angles in addition to the small angles. The charge density of these flat bands possesses different local modes, indicating that they might be derived from different stacked modes and host different properties. The exotic physical properties presented in this work foreshow twisted BPC a promising material for the application of terahertz and infrared photodetectors and the exploration of strong correlation.

Key words: twisted bilayer biphenylene carbon, adjustable band gap, flat bands

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

73.22.-f (Electronic structure of nanoscale materials and related systems) 73.21.Ac (Multilayers)

Ya-Bin Ma(马亚斌), Tao Ouyang(欧阳滔), Yuan-Ping Chen(陈元平), and Yue-E Xie(谢月娥). Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon[J]. 中国物理B, 2021, 30(7): 77103-077103.

Ya-Bin Ma(马亚斌), Tao Ouyang(欧阳滔), Yuan-Ping Chen(陈元平), and Yue-E Xie(谢月娥). Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon[J]. Chin. Phys. B, 2021, 30(7): 77103-077103.

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Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

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