Evolution of the crystal-field splittings in the cubic CeIn3-xSnx compounds

P. ROURA-BAS; V. L. VILDOSOLA; A. M. LOIS

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Año: 2008 vol. 320 p. 468 - 470

0304-8853

The ground state of CeIn3-xSnx evolves from antiferromagnetic to intermediate valent with growing Sn concentration. These compounds crystallize in the simple FCC AuCu3-type structure and this makes it possible to analyse in depth how the differences in their electronic structure affects the physical properties. In this work we analyse the evolution of the crystal fields as a function of x by means of an ab initio many-body combined technique and compare with previous results for CeSb1-xTex alloys. The hybridization functions of the 4f states of Cerium with the conduction band for each material are obtained from first principles. These functions are used as input for the Anderson impurity model, which is solved within a multi-orbital non-crossing approximation (NCA) with infinite U.