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Bulk band gaps in divalent hexaborides.

J D Denlinger1, J A Clack, J W Allen

  • 1Advanced Light Source, Lawrence Berkeley National Laboratory, California 94720, USA.

Physical Review Letters
|October 9, 2002
PubMed
Summary
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Divalent hexaborides are semiconductors, not metals, with a significant X-point gap. This finding suggests defects, likely boron vacancies, cause observed conductivity and challenge existing ferromagnetism models.

Area of Science:

  • Condensed matter physics
  • Materials science
  • Solid-state chemistry

Background:

  • Divalent hexaborides exhibit novel ferromagnetic properties.
  • Existing models often assume band overlap in these materials.
  • Understanding their electronic structure is key to explaining their magnetism.

Purpose of the Study:

  • To investigate the electronic band structure of divalent hexaborides.
  • To determine the presence and magnitude of any band gap.
  • To clarify the origin of charge carriers and their relation to ferromagnetism.

Main Methods:

  • Utilizing complementary angle-resolved photoemission spectroscopy (ARPES).
  • Employing bulk-sensitive k-resolved resonant inelastic x-ray scattering (KRRIXS).

Related Experiment Videos

  • Analyzing the electronic band structure and Fermi level position.

    • Main Results:

    • Revealed a >1 eV X-point gap between valence and conduction bands.
    • Contradicted models assuming band overlap.
    • Identified defect-related carriers and implicated boron vacancies as the source of excess electrons.

    Conclusions:

    • Divalent hexaborides possess a semiconducting electronic structure.
    • Observed ferromagnetism requires re-evaluation in light of the band gap.
    • CaB6 serves as a critical test case for advanced band structure calculations.