ELECTRONIC-STRUCTURE CALCULATIONS FOR CEAG

被引:12
|
作者
MONACHESI, P
FRAIZZOLI, S
MORONI, EG
机构
[1] PHB ECUBLENS,INST ROMAND RECH NUMER PHYS MAT,CH-1015 LAUSANNE,SWITZERLAND
[2] SCUOLA NORMALE SUPER PISA,I-56100 PISA,ITALY
[3] UNIV LAUSANNE,INST PHYS EXPTL,CH-1015 LAUSANNE,SWITZERLAND
[4] UNIV LAQUILA,DIPARTMENTO FIS,I-67100 LAQUILA,ITALY
关键词
D O I
10.1016/0304-8853(91)90437-F
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Self-consistent linear muffin-tin orbital calculations are performed for CeAg. The electronic structure is calculated in the paramagnetic and ferromagnetic phase, for both the cubic and tetragonal symmetry. The presence of hybridization relevant to the Anderson lattice behavior, invoked to interpret the low-temperature properties of this compound, is confirmed. The comparison of the electronic structures of CeAg and of its f-less analog LaAg allows us to determine the localized part of the Ce 4f charge, amounting to approximately 0.94 e/Ce, to be identified with the average f-occupation number in the Anderson model. A saturation magnetic moment of almost-equal-to 0.78-mu-B is found, which is essentially due to the Ce f electrons.
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页码:130 / 140
页数:11
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