4.8 Article

Band Narrowing and Mott Localization in Iron Oxychalcogenides La2O2Fe2O(Se, S)2

Journal

PHYSICAL REVIEW LETTERS
Volume 104, Issue 21, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.216405

Keywords

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Funding

  1. National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396]
  2. U.S. DOE Office of Science
  3. LDRD Program at LANL
  4. NSF [DMR-0706625, CNS-0821727]
  5. Robert A. Welch Foundation [C-1411]
  6. W. M. Keck Foundation
  7. NSFC [10974175, 10874147]
  8. National Basic Research Program of China [2009CB929104]
  9. PCSIRT of China [IRT0754]
  10. DoD MURI

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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 J(1)-J(2)-J'(2) exchange interactions on a doubled'' checkerboard lattice.

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