Tunable electronic properties in stanene and two dimensional silicon-carbide heterobilayer: A first principles investigation

Ferdous, Naim; Islam, Md. Sherajul; Park, Jeongwon; Hashimoto, Akihiro

doi:10.1063/1.5066029

Cited by 45 publications

(62 citation statements)

References 60 publications

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“…As a wide bandgap semiconducting material with high thermal capability, SiC is a leading material for high-power electronics and high- temperature applications. However, due to quantum confinement and surface effects, 2D SiC offers tremendous unprecedented properties, which are absent in bulk SiC materials [ 1 , 2 , 3 , 4 , 5 ].…”

Section: Introductionmentioning

confidence: 99%

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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As a direct wide bandgap semiconducting material, two-dimensional, 2D, silicon carbide has the potential to bring revolutionary advances into optoelectronic and electronic devices. It can overcome current limitations with silicon, bulk SiC, and gapless graphene. In addition to SiC, which is the most stable form of monolayer silicon carbide, other compositions, i.e., SixCy, are also predicted to be energetically favorable. Depending on the stoichiometry and bonding, monolayer SixCy may behave as a semiconductor, semimetal or topological insulator. With different Si/C ratios, the emerging 2D silicon carbide materials could attain novel electronic, optical, magnetic, mechanical, and chemical properties that go beyond those of graphene, silicene, and already discovered 2D semiconducting materials. This paper summarizes key findings in 2D SiC and provides insight into how changing the arrangement of silicon and carbon atoms in SiC will unlock incredible electronic, magnetic, and optical properties. It also highlights the significance of these properties for electronics, optoelectronics, magnetic, and energy devices. Finally, it will discuss potential synthesis approaches that can be used to grow 2D silicon carbide.

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Section: Introductionmentioning

confidence: 99%

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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“…The stable interlayer distance for the A–B and A–C patterns are found as 2.81 Å and 2.80 Å, respectively, by the calculation of the binding energy with respect to interlayer distance. Since the minimum binding energy point corresponds to the (local) equilibrium geometry, it will result in stable electronic properties 58 – 61 . Besides, the calculation of the binding energy of a material structure provides significant information about the stability of the material.…”

Section: Resultsmentioning

confidence: 99%

Strong tribo-piezoelectric effect in bilayer indium nitride (InN)

Islam

Zamil

Mojumder

et al. 2021

Sci Rep

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The high electronegativity between the atoms of two-dimensional (2D) group-III nitrides makes them attractive to demonstrating a strong out-of-plane piezo-electricity effect. Energy harvesting devices can be predicted by cultivating such salient piezoelectric features. This work explores the tribo-piezoelectric properties of 2D-indium nitride (InN) as a promising candidate in nanogenerator applications by means of first-principles calculations. In-plane interlayer sliding between two InN monolayers leads to a noticeable rise of vertical piezoelectricity. The vertical resistance between the InN bilayer renders tribological energy by the sliding effect. During the vertical sliding, a shear strength of 6.6–9.7 GPa is observed between the monolayers. The structure can be used as a tribo-piezoelectric transducer to extract force and stress from the generated out-of-plane tribo-piezoelectric energy. The A–A stacking of the bilayer InN elucidates the highest out-of-plane piezoelectricity. Any decrease in the interlayer distance between the monolayers improves the out-of-plane polarization and thus, increases the inductive voltage generation. Vertical compression of bilayer InN produces an inductive voltage in the range of 0.146–0.196 V. Utilizing such a phenomenon, an InN-based bilayer compression-sliding nanogenerator is proposed, which can tune the generated tribo-piezoelectric energy by compressing the interlayer distance between the InN monolayers. The considered model can render a maximum output power density of ~ 73 mWcm−2 upon vertical sliding.

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“…Furthermore, the substrate plays an important role to tune the electronic properties of stanene due to the strong interaction [17 and 18]. Electronic properties of stanene are affected by the substrate because it induces band inversion in the bonding and antibonding states of stanene, which opens up the band gap in stanine [19]. Furthermore, van der Waals heterostructure of stanene modulates its electronic properties [20].…”

Section: Introductionmentioning

confidence: 99%

Effect of Beryllium and Magnesium Doped Stanene Single Layer on Structural and Electronic Properties Using Density Functional Theory as Implemented in Quantum ESPRESSO

Shuaibu

Tanko

Abdurrahman

et al. 2021

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Stanene is a quantum spin hall insulator and a favourable material for electronic and optoelectronic devices. Density functional theory (DFT) calculations are performed to study the band gap opening in stanene by investigating the effect of beryllium and magnesium doped stanene single layer to study the electronic and structural properties in stanene. The electronic band energy of pure stanene without spin orbit coupling (SOC) appear to show no energy gap at the Fermi level showing that stanene is a gapless material with Dirac cones at the K point and the band gap opens by a gap of 0.08 eV is opened at the K point. The electronic structure of Be and Mg doped stanene shows that the Fermi level is shifted towards the valance band edge when compared to pure stanene. We have considered 6.25, 12.5, 18.75 and 25% of both Be and mg doping. The electronic structure of Be doped stanene show that the Fermi level is shifted towards the valance band edge when compared to pure stanene. The Dirac point of stanene locates at Γ shifted by 0.38 and 0.51eV for 6.25 and 12.5 %, an energy band gap of 0.27 and 0.50 eV were obtained above the Fermi level for 6.25 and 12.5% respectively. In the case of Mg, the bandgap remains slightly above the Fermi-level and amounts to 0.34 eV for 6.25 % and 0.43eV for 12.5 %, in the case of 18.75 and 25 % the Dirac cone disappear completely, an energy gap of 0.28 eV and 0.60 eV were obtained above the Fermi level for 6.25 and 12.5% respectively, our findings show that the band gap of stanene open at 12.5% doping concentration of both Be and Mg impurities. These obtained band-gap value seem to be sufficient for use of alkaline earth metal doped stanene in optoelectronic and such applications where stanene is incapacitate for its use to switch on/off devices.

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Tunable electronic properties in stanene and two dimensional silicon-carbide heterobilayer: A first principles investigation

Cited by 45 publications

References 60 publications

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Strong tribo-piezoelectric effect in bilayer indium nitride (InN)

Effect of Beryllium and Magnesium Doped Stanene Single Layer on Structural and Electronic Properties Using Density Functional Theory as Implemented in Quantum ESPRESSO

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