LaOFeAs能带磁性的Gutzwiller理论
Gutzwiller theory of band magnetism in LaOFeAs
摘要：
我们用Gutzwiller变分理论计算了LaOFeAs的基态相图和准粒子带。由密度泛函理论得到的Fe ~ 3d-As ~ 4p Wannier轨道基定义了八带哈伯德模型的能带部分。在铁轨道中的电子之间的全原子相互作用的哈伯德相互作用U和平均洪德规则的相互作用J参数化。我们重现实验观察到的小有序磁矩在一个大的区域（U，J）参数空间。磁有序相是准粒子的条纹自旋密度波。
英文摘要：
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle 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 parameterized 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 quasi-particles.
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