Hybridization functions of intermetallic Ce compounds with group VI elements

TL;DR

This paper analyzes the hybridization functions and crystal-field splittings of intermetallic cerium compounds with group VI elements, focusing on how p-electron interactions influence their magnetic and electronic properties.

Contribution

It provides a detailed analysis of the 4f-hybridization function and crystal-field splittings in CeY and CeX compounds, highlighting the role of p-electrons in their unique properties.

Findings

Hybridization functions are significantly affected by p-electron contributions.

The Fermi energy shifts into the p-region of the Ce 5d density of states.

These shifts influence the magnetic and electronic behavior of the compounds.

Abstract

Among the Cerium compounds, the heavier monochalcogenides CeY (Y=S,Se,Te) of cerium provide a class of compounds which together with the heavier monopnictides CeX (X=N,P,As,Sb,Bi) exhibit extremely interesting physical properties. The hybridization of the partially delocalized f-electrons seems to be responsible for the unusual properties, in particular the magnetic ones which show great chemical sensitivity. As compared to the monopnictides, the monochalcogenides have an additional anion p-electron which shifts the Fermi energy into the p-region of the Cerium 5d-derived density of states, and which should affect the hybridization function of the electrons in the conduction band. In this contribution we analyze the 4f-hybridization function and the crystal-field splittings of the compounds under study. KEY WORDS: Highly correlated systems, crystal fields, p-electron.