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Band narrowing and mott localization in iron oxychalcogenides La2O2Fe2O(Se,S)2

  • Jian Xin Zhu
  • , Rong Yu
  • , Hangdong Wang
  • , Liang L. Zhao
  • , M. D. Jones
  • , Jianhui Dai
  • , Elihu Abrahams
  • , E. Morosan
  • , Minghu Fang
  • , Qimiao Si
  • Los Alamos National Laboratory Theoretical Division
  • Rice University
  • Zhejiang University
  • Rutgers - The State University of New Jersey, New Brunswick
  • University of California at Los Angeles

Research output: Contribution to journalArticlepeer-review

120 Scopus citations

Abstract

Bad metal properties have motivated a description of the parent iron pnictides as correlated metals on the verge of Mott localization. What has been unclear is whether interactions can push these and related compounds to the Mott-insulating side of the phase diagram. Here we consider the iron oxychalcogenides La2O2Fe2O(Se,S)2, which contain an Fe square lattice with an expanded unit cell. We show theoretically that they contain enhanced correlation effects through band narrowing compared to LaOFeAs, and we provide experimental evidence that they are Mott insulators with moderate charge gaps. We also discuss the magnetic properties in terms of a Heisenberg model with frustrating J1-J2-J2′ exchange interactions on a "doubled" checkerboard lattice.

Original languageEnglish
Article number216405
JournalPhysical Review Letters
Volume104
Issue number21
DOIs
StatePublished - May 28 2010

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