Magnetic ordering in the static intermediate-valent cerium compound Ce2RuZn4

TL;DR

This study investigates the magnetic properties of Ce2RuZn4, revealing an antiferromagnetic transition at 2 K and showing that only one of its two cerium sites is magnetic, supported by experimental and computational analysis.

Contribution

It provides new insights into the magnetic behavior of static intermediate-valent cerium compounds using combined experimental and first-principles calculations.

Findings

Ce2RuZn4 exhibits antiferromagnetic order at 2 K.

Only one cerium site carries a magnetic moment.

First-principles calculations confirm two distinct cerium sites with different magnetic properties.

Abstract

The low-temperature behavior of Ce2RuZn4 has been investigated. Specific heat and magnetic susceptibility data reveal an antiferromagnetic transition at a Neel temperature of 2 K. Ce2RuZn4 is a static intermediate-valent compound with two crystallographically independent cerium atoms. The magnetic data clearly show that only one cerium site is magnetic (Ce^3+), while the second one carries no magnetic moment. The experimental data are interpreted with the help of first principles electronic structure calculations using density functional theory and the augmented spherical wave method. The calculations reveal the occurrence of two different cerium sites, which are characterized by strongly localized magneticmoments and strong Ce-Ru bonding, respectively.