Ab-initio study of electronic properties of Si(C) honeycomb structures

Vahabzadeh, Nosratali; Alaei, Hamid Reza

doi:10.1016/j.cjph.2018.07.019

Cited by 5 publications

(2 citation statements)

References 31 publications

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“…The semimetallic character of silicene limits its potential as a suitable material for distinct applications; however, this limitation could be overcome by the induction of Mott–Hubbard or Anderson transitions. Various authors have studied in detail silicene–graphene hybrid layers and their properties; , however, to the best of our knowledge, there is no systematic study on the behavior of carbon-doped silicene in simulations or experiments. In this work, we study the doping behavior of both finite and periodic structures of silicene with carbon atoms.…”

Section: Introductionmentioning

confidence: 99%

Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene

et al. 2020

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We investigate the effect of lattice disorder and local correlation effects in finite and periodic silicene structures caused by carbon doping using first-principles calculations. For both finite and periodic silicene structures, the electronic properties of carbon-doped monolayers are dramatically changed by controlling the doping sites in the structures, which is related to the amount of disorder introduced in the lattice and electron–electron correlation effects. By changing the position of the carbon dopants, we found that a Mott–Anderson transition is achieved. Moreover, the band gap is determined by the level of lattice disorder and electronic correlation effects. Finally, these structures are ferromagnetic even under disorder which has potential applications in Si-based nanoelectronics, such as field-effect transistors (FETs).

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Section: Introductionmentioning

confidence: 99%

Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene

et al. 2020

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“…[25][26][27][28][29][30] The semimetallic character of silicene limits its potential as a suitable material for distinct applications; however, this limitation could be overcome by the induction of Mott-Hubbard or Anderson transitions. Different authors have studied in detail silicene-graphene hybrid layers and their properties; [31,32], however, to the best of our knowledge, there is no a systematic study on the behavior of carbon-doping in silicene in simulations or experiments. In this work, we study the doping behavior of both finite and periodic structures of silicene with carbon atoms.…”

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confidence: 99%

Understanding disorder in 2D materials: the case of carbon doping of Silicene

Pablo-Pedro,

Magana-Fuentes,

Videa

et al. 2019

Preprint

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We investigate the effect of lattice disorder and local correlation effects in finite and periodic silicene structures caused by doping with carbon atoms using first-principles calculations. For both finite and periodic silicene structures, we show that the electronic properties of carbon-doped silicene structures are dramatically changed by controlling only one parameter, the position of substitution of carbon atoms in the structures which is related to the amount of disorder introduced in the lattice and electron-electron correlation effects. For silicene nanoclusters, the disorder is long-range due to finite-size effects while for periodic structure the disorder is short-range due to the confinement effect. By changing the position of the carbon dopants, we found that the Mott and Anderson insulators can be continuously connected as shown by the local density of states. Moreover, the bandgap is determined by the level of lattice disorder and electronic correlation effects. Finally, these structures are ferromagnetic even under disorder which has potential applications in Si-based nanoelectronics, such as field-effect transistors (FETs).

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First-principles study of Si adatom on the ZnO honeycomb structure

Roohandeh

Alaei

2021

Indian J Phys

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Ab-initio study of electronic properties of Si(C) honeycomb structures

Cited by 5 publications

References 31 publications

Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene

Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene

Understanding disorder in 2D materials: the case of carbon doping of Silicene

First-principles study of Si adatom on the ZnO honeycomb structure

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