Monolayer borophene electrode for effective elimination of both the Schottky barrier and strong electric field effect

Liu, L. Z.; Xiong, Shenglin; Wu, Xiaoqiang

doi:10.1063/1.4960768

Cited by 30 publications

(19 citation statements)

References 26 publications

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“…As an alternative, two-dimensional (2D) boron or borophene is a recently proposed monolayer material that has been predicted to display metallic properties, 12−15 and form Ohmic contacts to 2D semiconductors, greatly enhancing the performance of electronic devices. 16…”

Section: Introductionmentioning

confidence: 99%

Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain

Adamska

Sharifzadeh

2017

ACS Omega

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Two-dimensional boron (borophene) is a promising, newly synthesized monolayer metal with promising electronic and optical properties. Borophene has only been recently synthesized on silver substrates, and displays a variety of crystal structures and substrate-induced strains depending on the growth conditions and surface orientation. Here, we present an extensive first-principles study of the structural and optoelectronic properties of the two proposed structures of borophene, β 12 and δ 6 , under strain. With a density functional theory analysis, we determine that the optical absorbance and electronic band structure are continuously tunable upon application of few percent of strain. Although both structures remain metallic with moderate strains of up to 6% applied, key features of the band structure, as well as the inplane anisotropy of the complex dielectric function and optical absorption, can be significantly modified.

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Section: Introductionmentioning

confidence: 99%

Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain

Adamska

Sharifzadeh

2017

ACS Omega

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“…The electronic, optical and thermodynamic properties were investigated for the borophene26. It was demonstrated that there is no Schottky barrier between the metallic borophene and other two-dimensional semiconductors, which is useful for the construction of two-dimensional electronic devices with enhanced performance27. Borophene has negative Poisson’s ratio in the out-of-plane direction and the in-plane directions resulting from its puckered configuration7282930.…”

mentioning

confidence: 99%

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

Zhou

Jiang

2017

Sci Rep

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While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene.

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“…Borophene can exist in many different allotropes, all, while metallic, displaying distinct features of the band structure; [12][13][14][15][16][17][18][19][20][21][22][23][24][25][26] and has been predicted to form Ohmic contacts with other 2D semiconductors, suggesting that it can be a tunable monolayer metal. 27 Additionally, several reports have predicted phonon-mediated superconductivity in borophene, [22][23][24][25][26] which is very sensitive to carrier doping and strain, 25,26 and extremely low lattice thermal conductivity 28 compared with carbon-based materials 29 . To take advantage of borophene as a nano-optoelectronic material, it is necessary to understand its fundamental, intrinsic properties.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Evaluation of the Potential of Borophene as a Monolayer Transparent Conductor

Adamska¹,

Sridhar²,

Foley³

et al. 2017

Preprint

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Two-dimensional boron is promising as a tunable monolayer metal for nano-optoelectronics. We study the optoelectronic properties of two likely allotropes of two-dimensional boron using first-principles density functional theory and many-body perturbation theory. We find that both systems are anisotropic metals, with strong energy- and thickness-dependent optical transparency and a weak (<1%) absorbance in the visible range. Additionally, using state-of-the-art methods for the description of the electron-phonon and electron-electron interactions, we show that the electrical conductivity is limited by electron-phonon interactions. Our results indicate that both structures are suitable as a transparent electrode.

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Monolayer borophene electrode for effective elimination of both the Schottky barrier and strong electric field effect

Cited by 30 publications

References 26 publications

Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain

Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

First-Principles Evaluation of the Potential of Borophene as a Monolayer Transparent Conductor

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