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Author |
Li, L.; Li, J.; Song, Y.; Yu, Y.; Guan, L.; Liu, X.; Chen, X.; Liu, G.; Peeters, F.M. |
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Title |
Rectangular carbon nitrides C₄N monolayers with a zigzag buckled structure : quasi-1D dirac nodal lines and weak topological properties with flat edge states |
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A1 Journal article |
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Year  |
2024 |
Publication |
Advanced functional materials |
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Pages |
2415606 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, two C4N monolayers with a zigzag buckled (ZB) structure are proposed. The ZB C4N monolayers contain raised-C (raised-N) atoms with sp(3) hybridization, different from the traditional 2D graphene-like carbon nitride materials with sp(2) hybridization. Interestingly, the band structures of the ZB C4N monolayers exhibit quasi-1D Dirac nodal line resulting from the corresponding quasi-1D structure of the zigzag carbon chains, which is essentially different from the conventional ring-shaped nodal line. The quasi-1D Dirac nodal line exhibits the following features: i) gapless Dirac points, ii) varying Fermi velocity, and iii) a slightly curved band along the high-symmetry path. All these features are successfully explained by the proposed tight-binding model that includes interactions up to the third nearest neighbor. The Fermi velocity of the 2D system can reach 10(5) m s(-1), which is promising for applications in high-speed electronic devices. The topological flat band structure of the corresponding 1D system determined by the Zak phase and band inversion is edge-dependent, which is a weak topological state and can be explained by the 2D Su-Schrieffer-Heeger (SSH) model. The quasi-1D Dirac Fermions and SSH edge states make the ZB C4N monolayers promising for nanoelectronics applications. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001359 |
Publication Date |
2024-11-20 |
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ISSN |
1616-301x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:210371 |
Serial |
9387 |
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