“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 15679 |
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Discovering new two-dimensional (2D) Dirac semimetals incorporating both superconductivity and the topological band structure provides a novel platform for realizing the intriguing applications of massless Dirac fermions and Majorana quasiparticles, ranging from high-speed
quantum devices at the nanoscale to topological quantum computations. In this work, utilizing first-principles calculations, we introduce MOH(M= Zr, Hf) as a new topological Dirac superconductor. The calculation results show that this monolayer hosts Dirac points close to a
Fermi level which are connected with nearly flat edge states as a striking feature of topological semimetals. In ZrOH case, these Dirac cones originate from d-d band inversion of Zr atoms. Furthermore, our calculations reveal the existence of a large temperature superconductivity in
ZrOH which can be related to appearance of the van Hove singularity at the Fermi level of this monolayer. The most substantial contribution to the electron-phonon coupling comes from H modes. These results show that ZrOH as a 2D Dirac semimetal can exhibit superconductivity and is a novel platform for studying the interplay between superconductivity and Dirac states in lowdimensional materials.
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