Gutzwiller theory of band magnetism in LaOFeAs.

نویسندگان

  • Tobias Schickling
  • Florian Gebhard
  • Jörg Bünemann
  • Lilia Boeri
  • Ole K Andersen
  • Werner Weber
چکیده

We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasiparticle bands of LaOFeAs. The Fe3d-As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band Hubbard model. The full atomic interaction between the electrons in the iron orbitals is parametrized by the Hubbard interaction U and an average Hund's-rule interaction J. We reproduce the experimentally observed small ordered magnetic moment over a large region of (U,J) parameter space. The magnetically ordered phase is a stripe spin-density wave of quasiparticles.

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عنوان ژورنال:
  • Physical review letters

دوره 108 3  شماره 

صفحات  -

تاریخ انتشار 2012