论文标题
扩展Falicov-kimball模型:Hartree-Fock vs DMFT方法
Extended Falicov-Kimball model: Hartree-Fock vs DMFT approach
论文作者
论文摘要
在这项工作中,我们研究了Hartree-fock方法(HFA)中半填充的Falicov-Kimball模型(对于各种晶体晶格),并将获得的结果与在动态平均值理论(DMFT)中得出的严格结果进行了比较。该模型描述了一个系统,其中具有自旋 - $ \ downarrow $的电子是流动的(带有振幅$ t $),而旋转的人则是旋转的 - $ \ uparrow $。这些颗粒通过现场$ u $和intersite $ v $密度密度库仑相互作用相互作用。我们表明,模型的基态特性的HFA描述等效于精确的DMFT解决方案,并为一系列较小的温度提供了定性正确的图片。它确实捕获了$ u = 2V $的有序阶段之间的不连续过渡,以及连续订单disorder跃迁的正确特征。但是,HFA预测不连续的边界在孤立的临界点(液态加速器类型)末端结束,并且与连续边界没有合并。这种方法还无法正确描述大型$ V $连续过渡的顺序以及DMFT中发现的各种金属 - 绝缘体过渡。
In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field theory (DMFT). The model describes a system, where electrons with spin-$\downarrow$ are itinerant (with hopping amplitude $t$), whereas those with spin-$\uparrow$ are localized. The particles interact via on-site $U$ and intersite $V$ density-density Coulomb interactions. We show that the HFA description of the ground state properties of the model is equivalent to the exact DMFT solution and provides a qualitatively correct picture also for a range of small temperatures. It does capture the discontinuous transition between ordered phases at $U=2V$ for small temperatures as well as correct features of the continuous order-disorder transition. However, the HFA predicts that the discontinuous boundary ends at the isolated-critical point (of the liquid-gas type) and it does not merge with the continuous boundary. This approach cannot also describe properly a change of order of the continuous transition for large $V$ as well as various metal-insulator transitions found within the DMFT.