Electron doping of a double-perovskite flat-band system

Author:

Jin Lun1ORCID,Varnava Nicodemos23,Ni Danrui1,Gui Xin1,Xu Xianghan1,Xu Yuanfeng4,Bernevig B. Andrei345,Cava Robert J.1

Affiliation:

1. Department of Chemistry, Princeton University, Princeton, NJ 08544

2. Department of Physics & Astronomy, Rutgers University, Piscataway, NJ 08854

3. Donostia International Physics Center, 20018 Donostia-San Sebastian, Spain

4. Department of Physics, Princeton University, Princeton, NJ 08544

5. IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Spain

Abstract

Electronic structure calculations indicate that the Sr 2 FeSbO 6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary subbands with weak kinetic electron hopping plus a flat subband that can be attributed to the lattice geometry and orbital interference. To place the Fermi energy in that flat band, electron-doped samples with formulas Sr 2- x La x FeSbO 6 (0 ≤ x ≤ 0.3) were synthesized, and their magnetism and ambient temperature crystal structures were determined by high-resolution synchrotron X-ray powder diffraction. All materials appear to display an antiferromagnetic-like maximum in the magnetic susceptibility, but the dominant spin coupling evolves from antiferromagnetic to ferromagnetic on electron doping. Which of the three subbands or combinations is responsible for the behavior has not been determined.

Funder

U.S. Department of Energy

EC | ERC | HORIZON EUROPE European Research Council

Gordon and Betty Moore Foundation

NSF | MPS | Division of Materials Research

United States - Israel Binational Science Foundation

Publisher

Proceedings of the National Academy of Sciences

Subject

Multidisciplinary

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