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Chin. Phys. B, 2020, Vol. 29(3): 037305    DOI: 10.1088/1674-1056/ab6c4e
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Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts

Ye Zhang(张也)1, Huai-Hong Guo(郭怀红)1, Bao-Juan Dong(董宝娟)2,4,5, Zhen Zhu(朱震)3, Teng Yang(杨腾)2, Ji-Zhang Wang(王吉章)2, Zhi-Dong Zhang(张志东)2
1 College of Sciences, Liaoning Shihua University, Fushun 113001, China;
2 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China;
3 Materials Department, University of California, Santa Barbara, CA 93106, USA;
4 State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Opto-Electronics, Shanxi University, Taiyuan 030006, China;
5 Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China
Abstract  Using ab initio density functional theory calculations, we explore the three most stable structural phases, namely, α, β, 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.
Keywords:  tailoring electronic properties      two-dimensional antimonene      isoelectronic counterparts     
Received:  18 December 2019      Published:  05 March 2020
PACS:  73.61.Cw (Elemental semiconductors)  
  61.46.-w (Structure of nanoscale materials)  
  73.22.-f (Electronic structure of nanoscale materials and related systems)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 51702146), the College Students' Innovation and Entrepreneurship Projects, China (Grant No. 201710148000072), and Liaoning Province Doctor Startup Fund, China (Grant No. 201601325).
Corresponding Authors:  Huai-Hong Guo, Bao-Juan Dong, Zhen Zhu, Teng Yang     E-mail:  hhguo@escience.cn;dongbaojuan.1989@gmail.com;zhuzhen@engineering.ucsb.edu;yangteng@imr.ac.cn

Cite this article: 

Ye Zhang(张也), Huai-Hong Guo(郭怀红), Bao-Juan Dong(董宝娟), Zhen Zhu(朱震), Teng Yang(杨腾), Ji-Zhang Wang(王吉章), Zhi-Dong Zhang(张志东) Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts 2020 Chin. Phys. B 29 037305

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