Silicene: a review of recent experimental and theoretical investigations

Houssa, Michel; Dimoulas, A.; Molle, Alessandro

doi:10.1088/0953-8984/27/25/253002

Cited by 208 publications

(177 citation statements)

References 93 publications

(155 reference statements)

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“…This also means that absorption and emission terms need to be handled independently when it comes to the peculiar Fermi prefactor in Eq. (9). In addition, we rewrite the prefactor in the case of absorption, to avoid numerical instabilities:…”

Section: A Numerical Detailsmentioning

confidence: 99%

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First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

et al. 2016

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We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS2. The material properties, including the electron-phonon interaction, are calculated from first-principles. We provide a detailed description of the normalized full-band relaxation time approximation for the linearized Boltzmann transport equation (BTE) that includes inelastic scattering processes. The bulk electron-phonon coupling is evaluated by a supercell method. The method employed is fully numerical and does therefore not require a semianalytic treatment of part of the problem and, importantly, it keeps the anisotropy information stored in the coupling as well as the band structure. In addition, we perform calculations of the low-field mobility and its dependence on carrier density and temperature to obtain a better understanding of transport in graphene, silicene and monolayer MoS2. Unlike graphene, the carriers in silicene show strong interaction with the out-of-plane modes. We find that graphene has more than an order of magnitude higher mobility compared to silicene. For MoS2, we obtain several orders of magnitude lower mobilities in agreement with other recent theoretical results. The simulations illustrate the predictive capabilities of the newly implemented BTE solver applied in simulation tools based on first-principles and localized basis sets.

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Section: A Numerical Detailsmentioning

confidence: 99%

“…1, showing a monolayer of graphene [ Fig. 1(a)], its silicon-based counterpart silicene [7][8][9][10] [ Fig. 1(b)], and monolayer MoS 2 [ Fig.…”

Section: Introductionmentioning

confidence: 99%

First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

et al. 2016

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“…Since the band gap at the Fermi level is essential for controlling the conductivity in electronic devices, many studies have been made in order to open up the energy band gap of graphene [1][2][3][4]. Contrary to the graphene, some group IV graphenelike 2D structures, i.e., silicene [5,6], germanene [6][7][8], stanene [8][9][10] and their binary compounds [11][12][13][14][15][16] have energy band gap which enable the possible technological applications. Even graphene has gapless band structure, stanene has band gap, E g , around ∼ 75 meV [8] due to the its relatively higher spin-orbit coupling (SOC).…”

Section: Introductionmentioning

confidence: 99%

First principle and tight-binding study of strained SnC

Moğulkoç

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Moğulkoç

et al. 2017

Journal of Physics and Chemistry of Solids

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We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tightbinding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the DFT results as a reference point. We also examine the phonon spectra in the scheme of DFT, and analyze the bonding character by using Mulliken bond population. Moreover, we show that the band gap modulation and transition from indirect to direct band gap in the compressive strained SnC. The applied tensile strain reduces the band gap and eventually the semiconductor to semimetal transition occurs for 7.5% of tensile strain. In the framework of tight-binding model, the effect of spin-orbit coupling on energy spectrum are also discussed. We indicate that while tensile strain closes the band gap, spin-orbit gap is still present which is order of ∼ 40 meV at the Γ point. The substrate effect is modeled through a staggered sub-lattice potential in the tight-binding approximation. The optical properties of pristine and strained SnC are also examined in the DFT scheme. We present the modulation of real and imaginary parts of dielectric function under applied strain.

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“…A celebrated, but particularly simple, example is the two-dimensional honeycomb lattice with just two atoms per unit cell (Fig. 1a), such as graphene [1,2], silicene [3][4][5], germanene [6,7] and stanene [8]. These materials can host Dirac cones that give rise to rich physical properties [2,[9][10][11].…”

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confidence: 99%

Dirac Fermions in Borophene

et al. 2017

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Honeycomb structures of group IV elements can host massless Dirac fermions with non-trivial Berry phases. Their potential for electronic applications has attracted great interest and spurred a broad search for new Dirac materials especially in monolayer structures. We present a detailed investigation of the β12 boron sheet, which is a borophene structure that can form spontaneously on a Ag(111) surface. Our tight-binding analysis revealed that the lattice of the β12-sheet could be decomposed into two triangular sublattices in a way similar to that for a honeycomb lattice, thereby hosting Dirac cones. Furthermore, each Dirac cone could be split by introducing periodic perturbations representing overlayer-substrate interactions. These unusual electronic structures were confirmed by angle-resolved photoemission spectroscopy and validated by first-principles calculations. Our results suggest monolayer boron as a new platform for realizing novel high-speed low-dissipation devices.

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Silicene: a review of recent experimental and theoretical investigations

Cited by 208 publications

References 93 publications

First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

First principle and tight-binding study of strained SnC

Dirac Fermions in Borophene

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