Bourgeois A, Aligia A A, Rozenberg M J
Laboratoire de Physique des Solides, Université Paris-Sud, CNRS UMR-8502, 91405 Orsay cedex, France.
Phys Rev Lett. 2009 Feb 13;102(6):066402. doi: 10.1103/PhysRevLett.102.066402. Epub 2009 Feb 12.
We derive an effective Hamiltonian for highly correlated t_{2g} states centered at the Co sites of NaxCoO2. The essential ingredients of the model are an O mediated hopping, a trigonal crystal-field splitting, and on-site effective interactions derived from the exact solution of a multiorbital model in a CoO6 cluster, with parameters determined previously. The effective model is solved by dynamical mean field theory. We obtain a Fermi surface and electronic dispersion that agrees well with angle-resolved photoemission spectra. Our results also elucidate the origin of the "sinking pockets" in different doping regimes.
我们推导了一个以Na_xCoO_2的Co位点为中心的高度关联t_{2g}态的有效哈密顿量。该模型的基本要素包括通过氧介导的跃迁、三角晶场分裂以及从CoO_6团簇中多轨道模型的精确解导出的在位有效相互作用,其参数先前已确定。通过动态平均场理论求解有效模型。我们得到了一个与角分辨光电子能谱很好吻合的费米面和电子色散。我们的结果还阐明了不同掺杂区域中“下沉口袋”的起源。