We propose the pf +pd mixing model for CeSb to explain the stability of the ferromagnetic double layer structure in the magnetic ordering. The pd mixing causes the saddle type singular points, neighboring the ∆ axis, for the bands which gain energy through the pf hybridization with the occupied f state. The peak of the density of states due to this combined effect of the pf mixing and the pd mixing enhances the stability of the double layer structure. The same combined effect also causes the saddle type singular points in the joint density of states of the optical transition. The peak structure of the magneto-optical spectra which has been observed in experiments is explained by the present model.KEYWORDS: CeSb, magnetic order, double layer structure, optical conductivity, pf mixing model §1. Introduction Cerium monopnictides (CeX p , X p =P, As, Sb, Bi) are semimetals with the NaCl type lattice. Their electronic bands have hole surfaces originated from atomic X p p states around Γ, and electron surfaces originated from Ce 5d states around three equivalent X.1) In the temperature (T) and the magnetic field (H) diagram, 2, 3) CeX p 's show various types of magnetic ordered states. They consist of the ferromagnetic layers which stack antiferromagnetically. Many types of stacking sequences appear in the phase diagram. Among CeX p 's, CeSb 3) and CeBi 4, 5) have the type-IA antiferromagnetic (+ + −−) phase with nearly full (J z ≃ ±5/2) magnetic moment as the ground state of weak H case. Here '+' denotes the ferromagnetic layer with the magnetic moment parallel to the field, and '−' denotes the layer anti-parallel to the field.The pair of ferromagnetic layers (++ or −−) is widely observed as a unit of the magnetic structure in CeX p 's. We call it as the 'double layer structure', hereafter.The phase diagram of CeSb has been qualitatively reproduced by the ANNNI model.6-8) However, it is not clear how the parameters of the phenomenological model are related to those of the microscopic model.The origin of the ferromagnetic layer with nearly full moment was explained by the pf mixing model 9-16) proposed by Kasuya et al. The model also succeeded in explaining the origin of the antiferromagnetic stacking of the ferromagnetic layers. However, the stability of the double layer structure with sufficient energy gain has not been obtained.The pd mixing term between X p p bands and Ce d bands is neglected in the energy calculation of the original pf mixing model, because the pd mixing effect dis- * Contact address: NTT Energy and Environment Systems Laboratories, Tokyo 180-8585 appears on the ∆ axis where the pf mixing becomes maximum. Later, it was pointed out that the pd mixing term plays important role [17][18][19] to explain the Fermi surfaces of CeSb in the ferromagnetic phase [20][21][22][23][24][25] and + + − phase.
25, 26)In this paper, we employ the pf mixing model including the pd mixing effect, and examine the stability of the double layer structure in CeSb. Hereafter, we call the model as the pf +pd mixing model. I...