Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations

Liu, Peng-Fei; Li, Jingyu; Zhang, Chi; Tu, Xin-Hai; Zhang, Junrong; Zhang, Ping; Wang, Bao-Tian; Singh, David J.

doi:10.1103/physrevb.104.235422

Title: Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations

Journal Article · Thu Dec 16 00:00:00 EST 2021 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.104.235422· OSTI ID:1836234

^[1];

^[2]; Zhang, Chi ^[3]; Tu, Xin-Hai ^[1]; Zhang, Junrong ^[1]; Zhang, Ping ^[4];

^[5]; Singh, David J. ^[6]

Chinese Academy of Sciences (CAS), Beijing (China); Spallation Neutron Source Science Center, Dongguan (China)
Chinese Academy of Sciences (CAS), Hefei (China); Foshan (Southern China) Institute for New Materials, Guangdong (China)
Henan University of Technology, Zhengzhou (China)
Qufu Normal University (China); Inst. of Applied Physics and Computational Mathematics (IAPCM), Beijing (China)
Chinese Academy of Sciences (CAS), Beijing (China); Spallation Neutron Source Science Center, Dongguan (China); Shanxi University (China)
Univ. of Missouri, Columbia, MO (United States)

In this work, we report a first-principles investigation of electronic structure, topological bands, and electron-phonon interactions in metallic biphenylene sheets. Biphenylene is a recently synthesized sp²-bonded carbon allotrope. We find coupling of electrons at the Fermi surface to very high frequency carbon-derived phonons, analogous to superconducting MgB₂. This leads to low-temperature weak coupling superconductivity due to an unusual combination of exceptionally large logarithmically averaged phonon frequency ω_log=1369 K and moderate electron-phonon coupling. The electronic structure shows a two-band Fermi surface dominated by C p_z orbitals and a pair of type-II tilted Dirac cones along the Γ-Y line at the Brillouin zone boundary. Berry curvature and edge-state calculations show that monolayer biphenylene is a two-dimensional $$\mathbb{Z}$$₂ topological material. Thus, monolayer biphenylene is predicted to be a topological superconductor based on C p orbitals and high-frequency phonons.

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Research Organization:: Univ. of Missouri, Columbia, MO (United States)

Sponsoring Organization:: USDOE; National Natural Science Foundation of China (NSFC); Foshan Institute for New Materials; Key Scientific and Technological Project of Henan Province; Henan University of Technology

Grant/Contract Number:: SC0019114; 12074381; 12005230; 12104458; 12074241; 2021AYF25021; 212102210577; 31401129

OSTI ID:: 1836234

Journal Information:: Physical Review B, Vol. 104, Issue 23; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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