Strain-tunable electronic and optical properties of h-BN/BC3 heterostructure with enhanced electron mobility

doi:10.1088/1674-1056/abe29d

中国物理B ›› 2021, Vol. 30 ›› Issue (7): 76801-076801.doi: 10.1088/1674-1056/abe29d

Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility

Zhao-Yong Jiao(焦照勇)¹, Yi-Ran Wang(王怡然)¹, Yong-Liang Guo(郭永亮)^1,2, and Shu-Hong Ma(马淑红)^1,†

1 School of Physics, Henan Normal University, Xinxiang 453007, China;
2 School of Science, Henan Institute of Technology, Xinxiang 453003, China

收稿日期:2020-11-24 修回日期:2021-01-15 接受日期:2021-02-03 出版日期:2021-06-22 发布日期:2021-06-26
通讯作者: Shu-Hong Ma E-mail:mash.phy@htu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11904081) and the Natural Science Foundation of Henan Province, China (Grant Nos. 202300410247 and 21A140013).

Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility

Zhao-Yong Jiao(焦照勇)¹, Yi-Ran Wang(王怡然)¹, Yong-Liang Guo(郭永亮)^1,2, and Shu-Hong Ma(马淑红)^1,†

1 School of Physics, Henan Normal University, Xinxiang 453007, China;
2 School of Science, Henan Institute of Technology, Xinxiang 453003, China

Received:2020-11-24 Revised:2021-01-15 Accepted:2021-02-03 Online:2021-06-22 Published:2021-06-26
Contact: Shu-Hong Ma E-mail:mash.phy@htu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11904081) and the Natural Science Foundation of Henan Province, China (Grant Nos. 202300410247 and 21A140013).

摘要/Abstract

摘要： By using first-principles calculation, we study the properties of h-BN/BC₃ heterostructure and the effects of external electric fields and strains on its electronic and optical properties. It is found that the semiconducting h-BN/BC₃ has good dynamical stability and ultrahigh stiffness, enhanced electron mobility, and well-preserved electronic band structure as the BC₃ monolayer. Meanwhile, its electronic band structure is slightly modified by an external electric field. In contrast, applying an external strain can mildly modulate the electronic band structure of h-BN/BC₃ and the optical property exhibits an apparent redshift under a compressive strain relative to the pristine one. These findings show that the h-BN/BC₃ hybrid can be designed as optoelectronic device with moderately strain-tunable electronic and optical properties.

关键词: heterostructure, electronic and optical properties, first-principles calculation

Abstract: By using first-principles calculation, we study the properties of h-BN/BC₃ heterostructure and the effects of external electric fields and strains on its electronic and optical properties. It is found that the semiconducting h-BN/BC₃ has good dynamical stability and ultrahigh stiffness, enhanced electron mobility, and well-preserved electronic band structure as the BC₃ monolayer. Meanwhile, its electronic band structure is slightly modified by an external electric field. In contrast, applying an external strain can mildly modulate the electronic band structure of h-BN/BC₃ and the optical property exhibits an apparent redshift under a compressive strain relative to the pristine one. These findings show that the h-BN/BC₃ hybrid can be designed as optoelectronic device with moderately strain-tunable electronic and optical properties.

Key words: heterostructure, electronic and optical properties, first-principles calculation

中图分类号: (Solid surfaces and solid-solid interfaces: structure and energetics)

68.35.-p

68.35.Gy (Mechanical properties; surface strains) 68.65.-k (Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)

Zhao-Yong Jiao(焦照勇), Yi-Ran Wang(王怡然), Yong-Liang Guo(郭永亮), and Shu-Hong Ma(马淑红). Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility[J]. 中国物理B, 2021, 30(7): 76801-076801.

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Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility

Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility

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