Electronic structure and carrier mobility of BSb nanotubes  

作　　者：Lantian Xue Chennan Song Miaomiao Jian Qiang Xu Yuhao Fu Pengyue Gao Yu Xie 薛岚天;宋晨楠;见苗苗;许强;付钰豪;高朋越;谢禹

机构地区：[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

出　　处：《Chinese Physics B》2025年第3期183-188,共6页中国物理B(英文版)

基　　金：Project supported by the National Key R&D Program of China(Grant Nos.2022YFA1402503,2023YFA1406200,2023YFB3003001);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;the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)。

摘　　要：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 andπ^(*)-σ^(*)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)·V^(-1)·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.

关 键 词：ab initio calculations NANOTUBES electronic structure carrier mobility 

分 类 号：TB3[一般工业技术—材料科学与工程]