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<p>Strong correlations and ferromagnetic Hund’s coupling lead to diverse electronic phenomena in transition-metal oxides that sensitively depend on the <i>d</i>-orbital electron filling. Fullerides, their <i>p</i>-electron counterparts, exhibit effective antiferromagnetic Hund’s coupling in a different energy range. At half-filling (<i>n</i> = 3, three electrons in triply degenerate orbitals), both <i>d</i>- and <i>p</i>-electron systems are Mott insulators due to strong correlations and Hund’s coupling. Away from half-filling, in single-electron/hole (<i>n</i> = 1,5) <i>d</i>-orbital systems, Hund’s coupling opposes the correlations, reducing the Mott gap and allowing survival of metallicity. Here we report a single-hole multiorbital correlated <i>p</i>-electron system, orthorhombic-structured Yb<sub>2</sub>CsC<sub>60</sub> comprising pentavalent C<sub>60</sub><sup>5−</sup> anions, which also exhibits a robust metallic state with no Mott transition, just like in the metastable single-electron cubic-structured CsC<sub>60</sub>. We assert that particle−hole symmetry holds well in (<i>n</i> = 1,5) fullerides and that their <i>p</i>-electron-derived states are analogous to those in <i>d</i>-orbital solids, providing impetus for further study of these correlated systems.</p>

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Survival of the metallic state in a single-hole multiband p-orbital molecular system

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月26日

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  • Keisuke Matsui,
  • Ryan A. Klein,
  • Naoya Yoshikane,
  • John Arvanitidis,
  • Matjaž Gomilšek,
  • Urh Klopčič,
  • Shogo Kawaguchi,
  • Hitoshi Yamaoka,
  • Nozomu Hiraoka,
  • Hirofumi Ishii,
  • Qiang Zhang,
  • Shigeo Mori,
  • Hiroki Ishibashi,
  • Yoshiki Kubota,
  • Craig M. Brown,
  • Denis Arčon,
  • Kosmas Prassides

摘要

Strong correlations and ferromagnetic Hund’s coupling lead to diverse electronic phenomena in transition-metal oxides that sensitively depend on the d-orbital electron filling. Fullerides, their p-electron counterparts, exhibit effective antiferromagnetic Hund’s coupling in a different energy range. At half-filling (n = 3, three electrons in triply degenerate orbitals), both d- and p-electron systems are Mott insulators due to strong correlations and Hund’s coupling. Away from half-filling, in single-electron/hole (n = 1,5) d-orbital systems, Hund’s coupling opposes the correlations, reducing the Mott gap and allowing survival of metallicity. Here we report a single-hole multiorbital correlated p-electron system, orthorhombic-structured Yb2CsC60 comprising pentavalent C605− anions, which also exhibits a robust metallic state with no Mott transition, just like in the metastable single-electron cubic-structured CsC60. We assert that particle−hole symmetry holds well in (n = 1,5) fullerides and that their p-electron-derived states are analogous to those in d-orbital solids, providing impetus for further study of these correlated systems.