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Electronic structure and carrier mobility of BSb nanotubes |
| Lantian Xue(薛岚天)1,2, Chennan Song(宋晨楠)2, Miaomiao Jian(见苗苗)1,2,†, Qiang Xu(许强)2,‡, Yuhao Fu(付钰豪)1,2, Pengyue Gao(高朋越)2,§, and Yu Xie(谢禹)2,3 |
1 State Key Laboratory of High Pressure and Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
2 Key Laboratory of Material Simulation Methods & Software of Ministry of Education, College of Physics, Jilin University, Changchun 130012, China;
3 Key Laboratory of Physics and Technology for Advanced Batteries of Ministry of Education, College of Physics, Jilin University, Changchun 130012, China |
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Abstract High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors, single-charge detection, and memory devices. Here we systematically investigated the electronic properties of single-walled boron antimonide (BSb) nanotubes using first-principles calculations. We observed that rolling the hexagonal boron antimonide monolayer into armchair (ANT) and zigzag (ZNT) nanotubes induces compression and wrinkling effects, significantly modifying the band structures and carrier mobilities through band folding and $\pi^*$-$\sigma^*$ hybridization. As the chiral index increases, the band gap and carrier mobility of ANTs decrease monotonically, where electron mobility consistently exceeds hole mobility. In contrast, ZNTs exhibit a more complex trend: the band gap first increases and then decreases, and the carrier mobility displays oscillatory behavior. In particular, both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb, reaching $10^3$-$10^7$ cm$^2\cdot$V$^{-1}\cdot$s$^{-1}$. Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes, demonstrating the latter as a promising candidate for high-performance electronic devices.
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Received: 31 December 2024
Revised: 20 January 2025
Accepted manuscript online: 22 January 2025
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| Fund: Project supported by the National Key R&D Program of China (Grant Nos. 2022YFA1402503, 2023YFA1406200, and 2023YFB3003001), the National Natural Science Foundation of China (Grant Nos. 12074138 and 12047530), the Interdisciplinary Integration and Innovation Project of JLU, Fundamental Research Funds for the Central Universities, and the Program for JLU Science and Technology Innovative Research Team (JLUSTIRT). |
Corresponding Authors:
Miaomiao Jian, Qiang Xu, Pengyue Gao
E-mail: mmjian424@gmail.com;xq@calypso.cn;gpy@calypso.cn
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Cite this article:
Lantian Xue(薛岚天), Chennan Song(宋晨楠), Miaomiao Jian(见苗苗), Qiang Xu(许强), Yuhao Fu(付钰豪), Pengyue Gao(高朋越), and Yu Xie(谢禹) Electronic structure and carrier mobility of BSb nanotubes 2025 Chin. Phys. B 34 037304
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