Semimetal behavior of bilayer stanene

Evazzade, Iman; Roknabadi, Mahmood Rezaee; Morshedloo, Toktam; Modarresi, M.; Moğulkoç, Y.; Far, H. Nemati

doi:10.1016/j.physe.2017.02.016

Cited by 5 publications

(3 citation statements)

References 40 publications

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“…In addition, Khan et al has recently reported a finite band gap in the stanene/h-BN heterobilayers [37]. On the other hand, as reported by Evazadde et al [38], the electronic band structure of the bilayer stanene shows a non zero band gap with reasonably high electron conductivity. In this context, the intriguing prospect of stanene and silicene heterostructures as well as bilayer stanene in thermoelectric applications urges further investigation and modeling of the thermal transport in stanene and silicene based nanostructures with a view to lowering the thermal conductivity in these structures.…”

Section: Introductionmentioning

confidence: 76%

Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures

Noshin¹,

Khan²,

Subrina³

2018

Nanotechnology

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Recently, stanene and silicene based nanostructures with low thermal conductivity have incited noteworthy interest due to their prospect in thermoelectrics. Aiming at the possibility of extracting lower thermal conductivity, in this study, we have proposed and modeled stanene/ silicene heterobilayer nanoribbons, a new heterostructure and subsequently characterized their thermal transport by using an equilibrium molecular dynamics simulation. In addition, the thermal transport in bilayer stanene is also studied and compared. We have computed the thermal conductivity of the stanene/silicene and bilayer stanene nanostructures to characterize their thermal transport phenomena. The studied nanostructures show good thermal stability within the temperature range of 100-600 K. The room temperature thermal conductivities of pristine 10 nm×3 nm stanene/silicene hetero-bilayer and stanene bilayer are estimated to be 3.63±0.27 W m −1 K −1 and 1.31±0.34 W m −1 K −1 , respectively, which are smaller than that of silicene, graphene and some other 2D monolayers as well as heterobilayers such as stanene/ graphene and silicene/graphene. In the temperature range of 100-600 K, the thermal conductivity of our studied bilayer nanoribbons decreases with an increase in the temperature. Furthermore, we have investigated the dependence of our estimated thermal conductivity on the size of the considered nanoribbons. The thermal conductivities of both the nanoribbons are found to increase with an increase in the width of the structure. The thermal conductivity shows a similar increasing trend with the increase in the ribbon length, as well. Our results suggest that, the low thermal conductivity of our studied bilayer structures can be further decreased by nanostructuring. The significantly low thermal conductivity of the stanene/silicene heterobilayer and stanene bilayer nanoribbons realized in our study would provide a good insight and encouragement into their appealing prospect in the thermoelectric applications.

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Section: Introductionmentioning

confidence: 76%

Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures

Noshin¹,

Khan²,

Subrina³

2018

Nanotechnology

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“…Stanene exhibits several remarkable features, including large spin–orbit gaps, topological superconductivity, quantum anomalous Hall behavior, giant magnetoresistance, and efficient thermoelectricity [ 73 ]. Additionally, there have been numerous studies showing that measures such as doping with metal atoms can have a large effect on the structural and electrochemical properties of Stanene [ 74 , 75 ].…”

Section: Research Progress Of 2d Electrode Materials For Edlcsmentioning

confidence: 99%

Theoretical Studies on the Quantum Capacitance of Two-Dimensional Electrode Materials for Supercapacitors

et al. 2023

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In recent years, supercapacitors have been widely used in the fields of energy, transportation, and industry. Among them, electrical double-layer capacitors (EDLCs) have attracted attention because of their dramatically high power density. With the rapid development of computational methods, theoretical studies on the physical and chemical properties of electrode materials have provided important support for the preparation of EDLCs with higher performance. Besides the widely studied double-layer capacitance (CD), quantum capacitance (CQ), which has long been ignored, is another important factor to improve the total capacitance (CT) of an electrode. In this paper, we survey the recent theoretical progress on the CQ of two-dimensional (2D) electrode materials in EDLCs and classify the electrode materials mainly into graphene-like 2D main group elements and compounds, transition metal carbides/nitrides (MXenes), and transition metal dichalcogenides (TMDs). In addition, we summarize the influence of different modification routes (including doping, metal-adsorption, vacancy, and surface functionalization) on the CQ characteristics in the voltage range of ±0.6 V. Finally, we discuss the current difficulties in the theoretical study of supercapacitor electrode materials and provide our outlook on the future development of EDLCs in the field of energy storage.

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“…They found that the band structure indicates a minor overlap between valence band maxima and conduction band minima at the Dirac, this indicates properties of semimetal in the two-layer SnF system. Their results suggest that the bilayer SnF is not a potential material for topological insulators [11]. Abbasi & Sardroodi carried out calculations on the band-gap variations in stanene via density functional theory, and the effects of elemental doping were taken into account.…”

Section: Introductionmentioning

confidence: 99%

Structural, Electronic and Optical Properties of Stanene Doped Beryllium: A First Principle Study

Taura

Abdulmalik

Gidado

et al. 2021

PSIJ

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Stanene is a 2D hexagonal layer of tin with exceptional electronic and optical properties. However, the semiconductor applications of stanene are limited due to its zero band-gap. However, doping stanene could lead to a band gap opening, which could be a promising material for electronic and optical applications. In this work, optimized structure, electronic band structure, real and imaginary parts of the frequency-dependent dielectric function, electron loss function, and refractive index of stanene substitutionally doped with alkaline earth metal (beryllium) were analyzed using density functional theory (DFT) calculations as implemented in the quantum espresso and yambo suites. A pure stanene has a zero band gap energy, but with the inclusion of spin-orbit coupling in the electronic calculation of pure stanene, the band-gap is observed to open up by 0.1eV. Doping stanene with beryllium opens the band-gap and shifts the Dirac cone from the Fermi level, the band gap opens by 0.25eV, 0.55eV, and 0.8eV when the concentration of Beryllium is 12.5%, 25%, and 37.5% respectively. The Dirac cone vanished when the concentration of the dopant was increased to 50%. The Fermi level is shifted towards the valence band edge indicating a p-type material. The material absorption shows that SnBe absorption ranges in the visible to the ultraviolet region, The refractive index in stanene doped beryllium (SnBe) was found to be higher than that of pristine stanene, the highest refractive index was 9.2 at SnBe25%. In a nutshell, the results indicate that stanene can be a good material for electronic and optical applications if doped with beryllium.

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Semimetal behavior of bilayer stanene

Cited by 5 publications

References 40 publications

Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures

Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures

Theoretical Studies on the Quantum Capacitance of Two-Dimensional Electrode Materials for Supercapacitors

Structural, Electronic and Optical Properties of Stanene Doped Beryllium: A First Principle Study

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