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arXiv 1809.00561cond-mat.mtrl-scicond-mat.mes-hall
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两种超稳定的碲少层同素异形体

Two ultra-stable novel allotropes of Tellurium few-layers

Cong Wang, Linlu Wu, Xieyu Zhou, Linwei Zhou, Pengjie Guo, Kai Liu, Zhong-Yi Lu, Zhihai Cheng, Yang Chai, Wei Ji

摘要:

理论预测或实验观察到低维Te的至少四种二维或准一维同素异形体及其混合物,即α,\b{eta},γ,δ和手征-α+δ相。其中γ相和α相分别是单层膜和厚膜的最稳定相。在这里,我们发现了两个新的低维相,即ε和ε相。ε相比γ相稳定29 meV/Te以上,ε相的稳定性与最稳定的单层γ相相当。α相和α相之间的能量差随着层厚度的增加而减小,并且在四层(12-子层)厚度处消失,而该厚度在变化掺杂下增加。ε相和ε相分别是金属链和金属层。具有很强层间耦合的双相在其层间能带结构中表现出量子阱态。这些结果提供了显着的洞察了解在Te少层的多型性,并可能推动大量的研究各种少层相的性质。

英文摘要:

At least four two- or quasi-one- dimensional allotropes and a mixture of them were theoretically predicted or experimentally observed for low-dimensional Te, namely the α, \b{eta}, γ, δ and chiral-α+δ phases. Among them the γ and α phases were found the most stable phases for monolayer and thicker layers, respectively. Here, we found two novel low-dimensional phases, namely the ε and ζ phases. The ζ phase is over 29 meV/Te more stable than and the ε phase shows comparable stability with the most stable monolayer γ phase. The energetic difference between the ζ and α phases reduces with respect to the increased layer thickness and vanishes at the four-layer (12-sublayer) thickness, while this thickness increases under change doping. Both ε and ζ phases are metallic chains and layers, respectively. The ζ phase, with very strong interlayer coupling, shows quantum well states in its layer-dependent bandstructures. These results provide significantly insight into the understanding of polytypism in Te few-layers and may boost tremendous studies on properties of various few-layer phases.

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