Dirac Cones and Nodal Line in Borophene

Gupta, Sunny; Kutana, Alex; Yakobson, Boris I.

doi:10.1021/acs.jpclett.8b00640

Cited by 66 publications

(47 citation statements)

References 47 publications

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“…The difference between maximum and minimum energy of the nodal line is 0.18 eV. Also in β12 borophene there are two Dirac cones and a nodal line, which, however, has a 2.2 eV dispersion in energy near the Fermi level, much larger than in our case [59]. Note that the different trigonal warping for valence and conduction bands is responsible for the breaking of the isoenergetic line and leads to the formation of a nonflat nodal line with dispersion in energy.…”

Section: Effective Low-energy Hamiltoniancontrasting

confidence: 67%

Dirac nodal line in bilayer borophene: Tight-binding model and low-energy effective Hamiltonian

2018

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Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.

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Section: Effective Low-energy Hamiltoniancontrasting

confidence: 67%

Dirac nodal line in bilayer borophene: Tight-binding model and low-energy effective Hamiltonian

2018

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“…The band structure of β 12 ‐borophene c) and the nodal lines throughout the energy‐momentum space and form a closed loop with a peculiar topology similar to a knot d). Reproduced with permission . Copyright 2018, American Chemical Society.…”

Section: Potential Application Of Borophene In Electronics Supercondmentioning

confidence: 99%

2D Boron Sheets: Structure, Growth, and Electronic and Thermal Transport Properties

Gao

Cheng

et al. 2019

Adv Funct Materials

156

101

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The structures of boron clusters, such as flat clusters and fullerenes, resemble those of carbon. Various two‐dimensional (2D) borophenes have been proposed since the production of graphene. The recent successful fabrication of borophene sheets has prompted extensive researches, and some unique properties are revealed. In this review, the recent theoretical and experimental progress on the structure, growth, and electronic and thermal transport properties of borophene sheets is summarized. The history of prediction of boron sheet structures is introduced. Existing with a mixture of triangle lattice and hexagonal lattice, the structures of boron sheets have peculiar characteristics of polymorphism and show significant dependence on the substrate. Due to the unique structure and complex BB bonds, borophene sheets have many interesting electronic and thermal transport properties, such as strong nonlinear effect, strong thermal transport anisotropy, high thermal conductance in the ballistic transport and low thermal conductivity in the diffusive transport. The growth mechanism and synthesis of borophene sheets on different metal substrates are also presented. The successful prediction and synthesis will shed light on the exploration of new novel materials. Besides, the outstanding and peculiar properties of borophene make them tempting platform for exploring novel physical phenomena and extensive applications.

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“…13 Recently, boron-based Dirac cone materials have attracted great attention because boron atoms have a short covalent radius and flexible chemical bonding that favor the formation of multiple 2D allotropes. [14][15][16][17][18][19][20][21][22][23][24] Using ab initio evolutionary structure search, graphene-like ionic boron plane with the P6/mmm space group has been predicted to be dynamically and thermally stable, and exhibit double Dirac cones with massless Dirac Fermions. 15 What important and interesting is that its Fermi velocity is as high as 2.3 × 10 6 m/s, even one order of magnitude higher than that of graphene.…”

Section: Introductionmentioning

confidence: 99%

Borophosphene: A New Anisotropic Dirac Cone Monolayer with a High Fermi Velocity and a Unique Self-Doping Feature

Zhang

Kang

Zheng

et al. 2019

J. Phys. Chem. Lett.

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Two-dimensional (2D) Dirac cone materials exhibit linear energy dispersion at the Fermi level, where the effective masses of carriers are very close to zero and the Fermi velocity is ultrahigh, only 2 ~ 3 orders of magnitude lower than the light velocity. Such the Dirac cone materials have great promise in high-performance electronic devices. Herein, we have employed the genetic algorithms methods combining with first-principles calculations to propose a new 2D anisotropic Dirac cone material, that is, orthorhombic boron phosphide (BP) monolayer named as borophosphene. Molecular dynamics simulation and phonon dispersion have been used to evaluate the dynamic and thermal stability of borophosphene. Because of the unique arrangements of B-Band P-P dimers, the mechanical and electronic properties are highly anisotropic. Of great interest is that the Dirac cone of the borophosphene is robust, independent of in-plane biaxial and uniaxial strains, and can also be observed in its one-dimensional (1D) zigzag nanoribbons and armchair nanotubes. The Fermi velocities are ~ 10 5 m/s, the same order of magnitude with that of graphene.By using a tight-binding model, the origin of the Dirac cone of borophosphene is analyzed.Moreover, a unique feature of self-doping can be induced by the in-plane biaxial and uniaxial strains of borophosphene and the Curvature effect of nanotubes, which is great beneficial to realizing high speed carriers (holes). Our results suggest that the borophosphene holds a great promise in high-performance electronic devices, which could promote the experimental and theoretical studies to further explore the potential applications of other 2D Dirac cone sheets.

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Dirac Cones and Nodal Line in Borophene

Cited by 66 publications

References 47 publications

Dirac nodal line in bilayer borophene: Tight-binding model and low-energy effective Hamiltonian

Dirac nodal line in bilayer borophene: Tight-binding model and low-energy effective Hamiltonian

2D Boron Sheets: Structure, Growth, and Electronic and Thermal Transport Properties

Borophosphene: A New Anisotropic Dirac Cone Monolayer with a High Fermi Velocity and a Unique Self-Doping Feature

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