Two-dimensional anisotropic Dirac materials 
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Dong, Jiayu; Wang, Chuhan; Zhao, Xinlei; Gao, Miao; Yan, Xun-Wang; Ma, Fengjie; Lu, Zhong-Yi

doi:10.1103/physrevmaterials.6.074202

Phys. Rev. Materials

2022

DOI: 10.1103/physrevmaterials.6.074202

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Two-dimensional anisotropic Dirac materials PtN4C2 and Pt2N8

Jiayu Dong

Chuhan Wang

Xinlei Zhao

et al.

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Cited by 5 publications

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“…moieties. For example, the CoN 4 C 10 , CoN 4 C 2 , CrN 4 C 2 , Mn 2 N 6 C 6 , Pt 2 N 8 C 6 monolayers containing the MN 4 moieties [7][8][9][10][11] have been proved to be thermally, dynamically, and mechanically stable by the calculations of formation energy, molecular dynamics, phonon, and elastic constants. Moreover, the binary transition metal nitrides MN 4 (M = V, Cr, Mn, Fe, or Co) monolayers, which possess a similar structure to the graphene or graphene allotrope but contain the transition metal elements, have been predicted in the recent theoretical studies.…”

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confidence: 99%

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

Yan¹,

Zhang²,

Wang³

et al. 2022

Appl. Phys. Express

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Based on the first-principles calculations, we propose a scheme to fabricate the cobalt nitride CoN4 monolayer, a magnetic graphene-like two-dimensional material, in which all Co and N atoms are in a plane. Under the pressure above 40 GPa, the bulk CoN4 is stabilized in a triclinic phase. With the pressure decreasing, the triclinic phase of CoN4 is transformed into an orthorhombic phase, and the latter is a layered compound with large interlayer spacing. At ambient condition, the weak interlayer couplings are so small that single CoN4 layer can be exfoliated by the mechanical method.

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mentioning

confidence: 99%

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

Yan¹,

Zhang²,

Wang³

et al. 2022

Appl. Phys. Express

Self Cite

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Topological phonons and thermal conductivity of two-dimensional Dirac semimetal PtN4C2

Hu,

Ding,

Jin

et al. 2024

Applied Physics Letters

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PtN4C2 is a recently predicted two-dimensional (2D) Dirac semimetal exhibiting significant topological quantum spin and valley Hall effects. Herein, we explore its topological phonon states and thermal transport properties from first-principles calculations. In terms of symmetry arguments, we predict the existence of multiple topologically protected phononic Dirac points in the frequency range of 0–20 THz, which are evidenced by the relevant irreducible representations and calculated nontrivial edge states on the (100) surface. In addition, anharmonic phonon renormalization is found to play a significant role in determining the phonon spectrum, especially for the out-of-plane flexural acoustic (ZA) branch. Moreover, we explicitly consider three-phonon scattering, four-phonon scattering, and phonon renormalization to predict the lattice thermal conductivity κl of PtN4C2, by solving the Boltzmann transport equation. With the incorporation of four-phonon scattering, we predict that the intrinsic κl is 68 W/mK at room temperature, which is reduced by about 45% as compared to the value obtained by only including three-phonon scattering. This reduction is found to arise mainly from the ZA phonons, whose contribution to κl is significantly suppressed by four-phonon scattering, due to the restriction of the mirror symmetry-induced selection rules on three-phonon processes. We also unveil that the presence of Dirac points steepens the surrounding phonon dispersion and thus greatly increases the phonon group velocities, thereby making a considerable contribution to κl. This work establishes a thorough understanding of intrinsic topological phonons and thermal transport in PtN4C2 and highlights the importance of phonon renormalization and higher-order anharmonicity in determining the phonon transport properties of 2D materials.

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Coexistence of topological and bipolar magnetic semiconducting behavior in 2D metal-organic frameworks with a p-orbital coloring-triangle lattice

Zhao,

Xing,

Wang

et al. 2024

Applied Physics Letters

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The recent emergence of two-dimensional metal-organic framework (MOF) materials with nontrivial magnetic and electronic properties has attracted great interest in spintronics. Here, we theoretically demonstrate the synthesis of a coloring-triangle latticed 2D MOF by assembling 2,3,6,7,10,11-hexahydroxytriphenylene (H6HOTP) species and threefold coordinated Mn atoms, namely, 2D Mn-HOTP. The electronic structure calculations shown that 2D Mn-HOTP exhibits coexistence of bipolar magnetic semiconducting and topological behavior. 2D Mn-HOTP is an intrinsic bipolar magnetic semiconductor with a small spin-flip band gap of 0.21 eV and relatively large spin-conserving band gaps of 0.34 and 0.74 eV. Electrical/hole doping can induce the transformation of 2D Mn-HOTP into half-metal conduction with controllable spin polarization direction. In addition, the organic HOTP ligands containing coloring-triangle lattice enable the formation of p-orbital single polarized Dirac cones and flat bands, which exhibit the topological properties such as nonzero Chern number and nontrivial edge states near the Fermi level. The Dirac points and flat bands can be selectively detected at the Fermi level with experimentally achievable electron and hole concentrations of 5.19 and 0.91 × 1013 cm−2, respectively. These results not only highlight that 2D Mn-HOTP MOF is a promising candidate for developing spintronic devices but also provide an ideal platform to explore kagome-like correlated quantum states.

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Two-dimensional anisotropic Dirac materials PtN4C2 and Pt2N8

Cited by 5 publications

References 49 publications

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

Topological phonons and thermal conductivity of two-dimensional Dirac semimetal PtN4C2

Coexistence of topological and bipolar magnetic semiconducting behavior in 2D metal-organic frameworks with a p-orbital coloring-triangle lattice

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Two-dimensional anisotropic Dirac materials PtN4C2 and Pt2N8

Cited by 5 publications

References 49 publications

A scheme to fabricate magnetic graphene-like cobalt nitride CoN4 monolayer proposed by first-principles calculations

A scheme to fabricate magnetic graphene-like cobalt nitride CoN4 monolayer proposed by first-principles calculations

Topological phonons and thermal conductivity of two-dimensional Dirac semimetal PtN4C2

Coexistence of topological and bipolar magnetic semiconducting behavior in 2D metal-organic frameworks with a p-orbital coloring-triangle lattice

Contact Info

Product

Resources

About

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations