Evolution of the linear band dispersion of monolayer and bilayer germanene on Cu(111).
Evolution of the linear band dispersion of monolayer and bilayer germanene on Cu(111).
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Cu(111)上单层和双层锗烯线性能带色散的演变
DOI：
10.1039/c7cp03597g
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Dai Ying
中科院分区：
文献类型：
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作者：
Li Fengping;Wei Wei;Lv Xingshuai;Huang Baibiao;Dai Ying
锗烯的结构和电子性质总是受到与金属衬底的杂化效应的强烈调节。为了了解在锗烯和金属衬底之间引入缓冲层会发生什么，我们通过第一性原理计算研究了最近在Cu（111）上合成的单层和双层锗烯的结构和电子性质。结果表明，Cu（111）表面的单层锗烯呈现出接近平面的构型，并在g_pz态和g_sp态之间形成界面态，其中g_π态保持狄拉克特征。对于Cu（111）上的双层锗烯，由于锗烯层间相互作用，与Cu（111）的相互作用减少，有利于锗烯的转移。与底层锗烯层相比，上层锗烯层的Ge pz特性在费米能级附近保持不变。由于线性频带色散是新量子现象的核心，我们的研究结果将促进基于二维（2D）锗系统的合成，非凡量子特性和应用的研究。
The structural and electronic properties of germanene are always strongly modulated by the hybridization effects with metal substrates. In order to see what will happen when a buffer layer is introduced in-between germanene and metal substrates, we study the structural and electronic properties of the recently synthesized monolayer and bilayer germanene on Cu(111) though first-principles calculations. Our results show that the monolayer germanene on Cu(111) displays a nearly flat configuration and interface states form between the Ge pz and Cu sp-like states, with the Ge π states maintaining the Dirac character. For bilayer germanene on Cu(111), interactions with Cu(111) are reduced due to germanene inter-layer interactions, which is beneficial for the transfer of germanene. In comparison with the bottom germanene layer, the Ge pz character of the upper germanene layer can be maintained near the Fermi level. Since the linear band dispersion is at the heart of the novel quantum phenomenon, our results will facilitate research into the synthesis, extraordinary quantum properties, and applications based on the two-dimensional (2D) germanium system.