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Paper   IPM / Nano-Sciences / 15679
School of Nano Science
  Title:   Dirac fermions and superconductivity in two-dimensional transition-metal MOH (M=Zr, Hf)
1.  Ali Ebrahimian
2.  Mehrdad Dadsetani
3.  Reza Asgari
  Status:   Published
  Journal: Phys. Rev. B
  Vol.:  100
  Year:  2019
  Pages:   245120
  Publisher(s):   American Physical Society
  Supported by:  IPM
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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