Gutzwiller theory of band magnetism in LaOFeAs.
Phys Rev Lett
; 108(3): 036406, 2012 Jan 20.
Article
em En
| MEDLINE
| ID: mdl-22400768
ABSTRACT
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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Ano de publicação:
2012
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Article