Ab initio materials design of superconductivity in d 9nickelates

Motoharu Kitatani, Yusuke Nomura, Motoaki Hirayama, Ryotaro Arita

研究成果: Article査読


Motivated by the recent theoretical materials design of superconducting d9 nickelates for which the charge transfer from the NiO2 layer to the block layer is completely suppressed [M. Hirayama et al., Phys. Rev. B 101, 075107 (2020)], we perform a calculation based on the dynamical vertex approximation and obtain the phase diagram of RbCa2NiO3 and A2NiO2Br2, where A is a cation with a valence of 2.5+. We show that the phase diagram of these nickelates exhibits the same essential features as those found in cuprates. Namely, superconductivity appears upon hole-doping into an antiferromagnetic Mott insulator, and the superconducting transition temperature shows a dome-like shape. This demonstrates that the electron correlations play an essential role in nickelate superconductors, and we can control them by changing block layers.

ジャーナルAPL Materials
出版ステータスPublished - 2023 3月 1

ASJC Scopus subject areas

  • 材料科学(全般)
  • 工学(全般)


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