Two dimensional monolayer rhombic silicene on the diamond (111) surface.
Two dimensional monolayer rhombic silicene on the diamond (111) surface.
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DOI：
10.1039/c8cp03624a
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发表时间：
2018-08
期刊：
影响因子：
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通讯作者：
Rui Xu;N. Gao;Hongdong Li;Dongchao Qiu;Qiliang Wang;Shaoheng Cheng
中科院分区：
文献类型：
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作者：
Rui Xu;N. Gao;Hongdong Li;Dongchao Qiu;Qiliang Wang;Shaoheng Cheng
用密度泛函理论预测了以（1 × 1）结构键合在金刚石（111）表面的二维菱形硅烯（r-硅烯）。硅烯的平面结构具有P6/mmm对称性，在金刚石表面具有动态和热力学稳定性。硅烯具有不同于体积立方硅和六方硅烯的金属性质。硅-金刚石杂化结构由金属表面和宽禁带半导体金刚石衬底组成，为实现高性能纳米器件提供了一种新型的低维硅-金刚石复合材料。此外，在金刚石（111）衬底上理论上构造了类似的单层锗烯的菱形结构。
Two-dimensional rhombic silicene (named r-silicene) bonded on the diamond (111) surface with a (1 × 1) configuration is predicted by density functional theory. The planar structure of r-silicene has P6/mmm symmetry, and it is dynamically and thermodynamically stable on the diamond surface. r-Silicene has a metallic character, which is different to both bulk cubic Si and hexagonal silicene. The hybrid structure of r-silicene/diamond consists of a metallic surface and a wide band gap semiconductor diamond substrate, providing a novel low-dimensional composite based on silicon-diamond to realize high performance nanodevices. Moreover, a similar rhombic configuration of monolayer germanene has been theoretically constructed on the diamond (111) substrate.