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Two-dimensional oxy...
Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones
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- Chen, Xin, 1992- (författare)
- Uppsala universitet,Materialteori
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- Li, Linyang (författare)
- Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.;Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.
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- Peeters, Francois M. (författare)
- Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.;Yunnan Univ, Dept Phys & Astron, Key Lab Quantum Informat Yunnan Prov, Kunming 650091, Yunnan, Peoples R China.
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- Sanyal, Biplab (författare)
- Uppsala universitet,Materialteori
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(creator_code:org_t)
- 2021-02-08
- 2021
- Engelska.
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Ingår i: New Journal of Physics. - : Institute of Physics Publishing (IOPP). - 1367-2630. ; 23:2
- Relaterad länk:
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https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- 2D materials
- density functional theory
- dumbbell silicene
- Dirac semimetal
- topological insulator
- functionalization
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