Structural phase transition in FeBO under pressure

  • K. Parlinski

Abstract:

Using the density functional theory the structural and magnetic properties of iron borate under high pressure have been studied. At about P = 22.7 GPa a first order phase transition to the phase described by the same space group Rc has been found. The phase transition is accompanied by a 9% volume change of the unit cell, a four times decrease of the magnetic moment on Fe, an increase of the charge density at Fe, and a disappearance of the energy gap in the electronic density of states.

PACS. 75.50.Ee Antiferromagnetics – 71.15.Nc Total energy and cohesive energy calculations – 75.20.Hr Local moment in compounds and alloys; Kondo effect, valence fluctuations, heavy fermions 

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Copyright information

© EDP Sciences, Springer-Verlag 2002

Authors and Affiliations

  • K. Parlinski
    • 1
  1. 1.Institute of Nuclear Physics ul.Radzikowskiego 152, 31-342 Cracow, PolandPL

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