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First principles study on planar mechanism and heterostructures of ultraflat stanene
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-07-22 , DOI: 10.1016/j.physe.2021.114908
Pengfei Zhu 1, 2 , Huiyan Zhao 1, 2 , Xue Li 1, 2 , Yunxiao Zu 1, 2 , Liyuan Wu 3 , Changcheng Chen 4 , Gang Liu 1, 2
Affiliation  

The successful preparation of ultraflat stanene on Cu (111) has broad application prospects in topological insulators. Here, we investigate the mechanism of stanene extending from buckled structure to ultraflat structure by using the first principle calculation. Different heterojunctions are constructed to clarify the influence of different structure heterojunctions on the topological properties of ultraflat stanene. The results show that the mechanism of planar structure is the joint action of pz orbital filtration and stress stretching. On this basis, we have established heterojunctions of ultraflat stanene with MoS2 and 4-SiC models and analyzed their topological properties. The results show that only the van der Waals heterojunction of ultraflat stanene on MoS2 is used as a substrate. The topological properties can be maintained. However, the heterojunction of ultraflat stanene on 4-SiC with chemical bond changes the topological properties of ultraflat stanene. Therefore, the heterojunction of ultraflat stanene on MoS2 is a promising candidate for topological devices.



中文翻译:

超扁平锡烯平面机理及异质结构的第一性原理研究

在Cu(111)上成功制备超扁平stanene在拓扑绝缘体中具有广阔的应用前景。在这里,我们使用第一性原理计算研究了 stanene 从屈曲结构延伸到超扁平结构的机制。构建不同的异质结以阐明不同结构的异质结对超扁平锡烯拓扑性质的影响。结果表明,平面结构的机理是p z轨道过滤和应力拉伸的共同作用。在此基础上,我们建立了超扁平锡烯与 MoS 2 的异质结和 4-SiC 模型并分析了它们的拓扑特性。结果表明,只有在MoS 2上的超扁平锡烯的范德华异质结被用作衬底。可以保持拓扑特性。然而,具有化学键的 4-SiC 上超扁平 stanene 的异质结改变了超扁平 stanene 的拓扑性质。因此,MoS 2上超扁平锡烯的异质结是拓扑器件的一个有前途的候选者。

更新日期:2021-07-25
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