| Literature DB >> 22400768 |
Tobias Schickling1, Florian Gebhard, Jörg Bünemann, Lilia Boeri, Ole K Andersen, Werner Weber.
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.Year: 2012 PMID: 22400768 DOI: 10.1103/PhysRevLett.108.036406
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161