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Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts

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Zhang Ye 1   Guo Huaihong 1 *   Dong Baojuan 2,3,4 *   Zhu Zhen 5 *   Yang Teng 2 *   Wang Jizhang 2   Zhang Zhidong 2  
文摘 Using ab initio density functional theory calculations, we explore the three most stable structural phases, namely, a, b, and cubic (c) phases, of two-dimensional (2D) antimonene, as well as its isoelectronic counterparts SnTe and InI. We find that the band gap increases monotonically from Sb to SnTe to InI along with an increase in ionicity, independent of the structural phases. The band gaps of this material family cover the entire visible-light energy spectrum, ranging from 0.26 eV to 3.37 eV, rendering them promising candidates for optoelectronic applications. Meanwhile, band-edge positions of these materials are explored and all three types of band alignments can be achieved through properly combining antimonene with its isoelectronic counterparts to form heterostructures. The richness in electronic properties for this isoelectronic material family sheds light on possibilities to tailor the fundamental band gap of antimonene via lateral alloying or forming vertical heterostructures.
来源 Chinese Physics. B ,2020,29(3):037305 【核心库】
DOI 10.1088/1674-1056/ab6c4e
关键词 tailoring electronic properties ; two-dimensional antimonene ; isoelectronic counterparts
地址

1. College of Sciences, Liaoning Shihua University, Fushun, 113001  

2. Institute of Metal Research, Chinese Academy of Sciences, Shenyang National Laboratory for Materials Science, Shenyang, 110016  

3. Institute of Opto-Electronics, Shanxi University, State Key Laboratory of Quantum Optics and Quantum Optics Devices, Taiyuan, 030006  

4. Shanxi University, Collaborative Innovation Center of Extreme Optics, Taiyuan, 030006  

5. Materials Department, University of California, USA, Santa Barbara, CA 93106

语种 英文
文献类型 研究性论文
ISSN 1674-1056
学科 物理学;化学
基金 国家自然科学基金 ;  the College Students' Innovation and Entrepreneurship Projects, China ;  Liaoning Province Doctor Startup Fund, China
文献收藏号 CSCD:6721102

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引证文献 2 篇

1 Zhu Zhen Fundamental band gap and alignment of two-dimensional semiconductors explored by machine learning Chinese Physics. B,2020,29(4):046101
CSCD被引 3 次

2 Su Xiuya Magnetic proximity effect induced spin splitting in two-dimensional antimonene/Fe3GeTe2 van der Waals heterostructures Chinese Physics. B,2022,31(3):037301
CSCD被引 0 次

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