期刊
NEW JOURNAL OF PHYSICS
卷 23, 期 2, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/1367-2630/abdb6e
关键词
2D materials; density functional theory; dumbbell silicene; Dirac semimetal; topological insulator; functionalization
资金
- Swedish Research Council [2016-05366, 2017-05447]
- Fonds voor Wetenschappelijk Onderzoek (FWO-Vl)
- FLAG-ERA project TRANS 2D TMD
- National Natural Science Foundation of China [12004097]
- Natural Science Foundation of Hebei Province [A2020202031]
- Foundation for the Introduced Overseas Scholars of Hebei Province [C20200313]
- China scholarship council [201606220031]
- PRACE [DECI-15]
The oxidized dumbbell silicene structures exhibit semimetallic properties with Dirac cones at the Fermi level, making them potential candidates for applications in quantum computing and high-speed electronic devices. The excellent properties of oxidized dumbbell silicene are sensitive to compression due to the self-absorption effect, but remain robust against tensile strain.
Dumbbell-like structures are recently found to be energetically favored in group IV two-dimensional (2D) materials, exhibiting rich physics and many interesting properties. In this paper, using first-principles calculations, we have investigated the oxidized form of the hexagonal honeycomb (ODB-h) and zigzag dumbbell silicene (ODB-z). We confirm that both oxidization processes are energetically favorable, and their phonon spectra further demonstrate the dynamic stability. Contrary to the pristine dumbbell silicene structures (PDB-h and PDB-z silicene), these oxidized products ODB-h and ODB-z silicene are both semimetals with Dirac cones at the Fermi level. The Dirac cones of ODB-h and ODB-z silicene are at the K point and between Y and Gamma points respectively, possessing high Fermi velocities of 3.1 x 10(5) m s(-1) (ODB-h) and 2.9-3.4 x 10(5) m s(-1) (ODB-z). The origin of the Dirac cones is further explained by tight-binding models. The semimetallic properties of ODB-h and ODB-z are sensitive to compression due to the self-absorption effect, but quite robust against the tensile strain. These outstanding properties make oxidized dumbbell silicene a promising material for quantum computing and high-speed electronic devices.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据