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Frontiers of Physics

ISSN 2095-0462

ISSN 2095-0470(Online)

CN 11-5994/O4

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Front. Phys.    2020, Vol. 15 Issue (5) : 53501    https://doi.org/10.1007/s11467-020-0981-5
RESEARCH ARTICLE
Isotropic or anisotropic screening in black phosphorous: Can doping tip the balance?
Zhi-Min Liu, Ye Yang, Yue-Shao Zheng, Qin-Jun Chen, Ye-Xin Feng()
Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics & Devices, School of Physics and Electronics, Hunan University, Changsha 410082, China
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Abstract

Black phosphorus (BP), a layered van der Waals (vdW) crystal, has unique in-plane band anisotropy and many resulting anisotropy properties such as the effective mass, electron mobility, optical absorption, thermal conductivity and plasmonic dispersion. However, whether anisotropic or isotropic charge screening exist in BP remains a controversial issue. Based on first-principles calculations, we study the screening properties in both of single-layer and bulk BP, especially concerning the role of doping. Without charge doping, the single-layer and bulk-phase BP show slight anisotropic screening. Electron and hole doping can increase the charge screening of BP and significantly change the relative static dielectric tensor elements along two different in-plane directions. We further study the charge density change induced by potassium (K) adatom near the BP surface, under different levels of charge doping. The calculated two-dimensional (2D) charge redistribution patterns also confirm that doping can greatly affect the screening feature and tip the balance between isotropic and anisotropic screening. We corroborate that screening in BP exhibits slight intrinsic anisotropy and doping has significant influence on its screening property.
Keywords first-principles calculation      charge screening      black phosphorus      dielectric function      doping     
Corresponding Author(s): Ye-Xin Feng   
Issue Date: 10 October 2020
 Cite this article:   
Zhi-Min Liu,Ye Yang,Yue-Shao Zheng, et al. Isotropic or anisotropic screening in black phosphorous: Can doping tip the balance?[J]. Front. Phys. , 2020, 15(5): 53501.
 URL:  
https://academic.hep.com.cn/fop/EN/10.1007/s11467-020-0981-5
https://academic.hep.com.cn/fop/EN/Y2020/V15/I5/53501
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