Max-Planck-Institut für Physik komplexer Systeme, Dresden, Germany.
J Phys Condens Matter. 2010 Jan 13;22(1):015701. doi: 10.1088/0953-8984/22/1/015701. Epub 2009 Dec 2.
Using a LDA+GTB (local density approximation+generalized tight-binding) hybrid scheme we investigate the band structure of the electron-doped high- T(c) material Sm(2-x)Ce(x)CuO(4). Parameters of the minimal tight-binding model for this system (the so-called three-band Emery model) were obtained within the NMTO (Nth-order muffin-tin orbital) method. The doping evolution of the dispersion and the Fermi surface in the presence of electronic correlations was investigated in two regimes of magnetic order: short-range (spin-liquid) and long-range (antiferromagnetic metal). Each regime is characterized by the specific topologies of the Fermi surfaces and we discuss their relation to recent experimental data.
我们使用 LDA+GTB(局域密度近似+广义紧束缚)混合方案研究了电子掺杂高 Tc 材料 Sm(2-x)Ce(x)CuO(4)的能带结构。该系统的最小紧束缚模型(所谓的三能带 Emery 模型)的参数是通过 NMTO(N 阶 muffin-tin 轨道)方法获得的。我们在两种磁有序(短程(自旋液体)和长程(反铁磁金属))情况下研究了电子相关存在时的色散和费米面的掺杂演化。每个区域都有特定的费米面拓扑结构,我们讨论了它们与最近的实验数据的关系。