Ab initio evidence for strong correlation associated with Mott proximity in iron-based superconductors

Takahiro Misawa, Kazuma Nakamura, Masatoshi Imada

Research output: Contribution to journalArticle

50 Citations (Scopus)

Abstract

We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte Carlo results for abinitio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics, and Hund's rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.

Original languageEnglish
Article number177007
JournalPhysical Review Letters
Volume108
Issue number17
DOIs
Publication statusPublished - 2012 Apr 27

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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