Electronic structure of silicene on Ag(111): Strong hybridization effects

Cahangirov, Seymur; Audiffred, Martha; Tang, Peizhe; Iacomino, Amilcare; Duan, Wenhui; Merino, Gabriel; Rubio, Ángel

doi:10.1103/physrevb.88.035432

Cited by 196 publications

(208 citation statements)

References 42 publications

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“…Over the past few years, group-IV monolayers have been experimentally realized using different experimental techniques. [8][9][10][11] Two-dimensional buckled silicene and germanene have been synthesized using molecular beam epitaxy method. 8,12 Similarly a monolayer of Pb has been deposited on a metal surface using ultrahigh vacuum techniques.…”

Section: Introductionmentioning

confidence: 99%

Band gap opening in stanene induced by patterned B–N doping

Garg

Choudhuri

Mahata

et al. 2017

Phys. Chem. Chem. Phys.

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Abstract:Stanene is a quantum spin hall insulator and a promising material for electronic and optoelectronic devices. Density functional theory (DFT) calculations are performed to study the band gap opening in stanene by elemental mono-(B, N) and co-doping (B-N). Different patterned B-N co-doping is studied to change the electronic properties in stanene. A patterned B-N co-doping opens the band gap in stanene and the semiconducting nature persists with strain. Molecular dynamics (MD) simulations are performed to confirm the thermal stability of such doped system. The stress-strain study indicates that such doped system is as stable as pure stanene. Our work function calculations show that stanene and doped stanene has lower work function than graphene and thus promising material for photocatalysis and electronic devices.

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Section: Introductionmentioning

confidence: 99%

Band gap opening in stanene induced by patterned B–N doping

Garg

Choudhuri

Mahata

et al. 2017

Phys. Chem. Chem. Phys.

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“…This is the reason why various theoretical results on the interaction with possible substrates are found in the literature, including the insulator h-BN [10], the semiconductor GaAs [11], and the metals Ca [12], Ag [13], and Ir [14]. While on metallic substrates the Dirac behavior of silicene typically is not maintained [15,16], transition-metal dichalcogenides are characterized by a weak interaction [17]. From a different perspective, the latter class of materials is receiving great interest in recent days due to the fact that it realizes band gaps in a technologically attractive range [18].…”

Section: Introductionmentioning

confidence: 99%

Proximity-induced spin-valley polarization in silicene or germanene on F-doped WS2

2016

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Silicene and germanene are key materials for the field of valleytronics. However, interaction with the substrate, which is necessary to support the electronically active medium, becomes a major obstacle. In the present work, we propose a substrate (F-doped WS 2 ) that avoids detrimental effects and at the same time induces the required valley polarization, so that no further steps are needed for this purpose. The behavior is explained by proximity effects on silicene or germanene, as demonstrated by first-principles calculations. Broken inversion symmetry due to the presence of WS 2 opens a substantial band gap in silicene or germanene. F doping of WS 2 results in spin polarization, which, in conjunction with proximity-enhanced spin-orbit coupling, creates sizable spin-valley polarization.

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“…All these along with the lack of direct experimental evidence make the existence of Dirac fermions in silicene under debate. 15,16 Principally, interplay between the sizable SOC of silicene and electromagnetic field is applicable in exploring its novel quantum phenomena compared to graphene, such as enhancement of the quantum spin Hall (QSH) and quantum anomalous Hall effect (QAH) effects. 7,8,[17][18][19][20] Controlling SOC plays a key role in the realm of spintronics.…”

Section: Introductionmentioning

confidence: 99%

Spin magnetic susceptibility of ferromagnetic silicene in the presence of Rashba spin-orbit coupling

2017

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In the current work, the effect of extrinsic Rashba spin-orbit coupling (RSOC) on the electronic band structure (BS) and magnetic susceptibility (MS) of ferromagnetic silicene is investigated in the presence of external perpendicular electric field. The Kane-Mele Hamiltonian and Dirac cone approximation besides the Green’s functions approach have been used to study the MS of the spin-up and spin-down bands. By changing the electric field, energy of the inter-band transitions and MS are tuned. Our findings show that MS could be easily controlled by an external electric field and RSOC. The system shows three phases: Topological insulator (TI), valley-spin polarized metal (VSPM) and band insulator (BI) for various RSOC and electric field strengths. The maximum and minimum value of MS appears in the VSPM and BI regimes, respectively. RSOC leads to the distortion of BS and reduction of the effective mass which in combination with SOC provides some changes like phase transition of VSPM from antiferromagnetic to the paramagnetic phase. Strong RSOC results to the drastic reduction of MS and double peak of the spin-up or spin-down curves at low temperatures.

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Electronic structure of silicene on Ag(111): Strong hybridization effects

Cited by 196 publications

References 42 publications

Band gap opening in stanene induced by patterned B–N doping

Band gap opening in stanene induced by patterned B–N doping

Proximity-induced spin-valley polarization in silicene or germanene on F-doped WS2

Spin magnetic susceptibility of ferromagnetic silicene in the presence of Rashba spin-orbit coupling

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