SIM-RUC
Surface & Interface Modeling
for Emerging Nanomaterials and Devices

Few-layer Tellurium: one-dimensional-like layered elementary semiconductor with striking physical properties

Jingsi Qiao1,2, Yuhao Pan1, Feng Yang1, Cong Wang1, Yang Chai2 and Wei Ji1

1Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-Nano Devices, Department of Physics, Renmin University of China, Beijing 100872, P. R. China
2Department of Applied Physics, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, P. R. China
* wji@ruc.edu.cn

DOI:    Publication Date: 


Abstract:

Few-layer Tellurium, an elementary semiconductor, succeeds most of striking physical properties that black phosphorus (BP) offers and could be feasibly synthesized by simple solution-based methods. It is comprised of non-covalently bound parallel Te chains, among which covalent-like feature appears. This feature is, we believe, another demonstration of the previously found covalent-like quasi-bonding (CLQB) where wavefunction hybridization does occur. The strength of this inter-chain CLQB is comparable with that of intra-chain covalent bonding, leading to closed stability of several Te allotropes. It also introduces a tunable bandgap varying from nearly direct 0.31 eV (bulk) to indirect 1.17 eV (2L) and four (two) complex, highly anisotropic and layer-dependent hole (electron) pockets in the first Brillouin zone. It also exhibits an extraordinarily high hole mobility (~10^5 cm^2/Vs) and strong optical absorption along the non-covalently bound direction, nearly isotropic and layer-dependent optical properties, large ideal strength over 20%, better environmental stability than BP and unusual crossover of force constants for interlayer shear and breathing modes. All these results manifest that the few-layer Te is an extraordinary-high-mobility, high optical absorption, intrinsic-anisotropy, low-cost-fabrication, tunable bandgap, better environmental stability and nearly direct bandgap semiconductor. This ``one-dimension-like” few-layer Te, together with other geometrically similar layered materials, may promote the emergence of a new family of layered materials.


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View: Sci. Bull.  63, Accepted (2017)     arXiv:1707.09888    

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