Isotropic magnetic exchange between anisotropic Yb(III) Ions. Study of Cs3Yb2Cl9 and Cs3Yb 2Br9 crystals

Andrei V. Palii, Boris S. Tsukerblat, Juan M. Clemente-Juan, Eugenio Coronado

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

Despite the prevalent belief about a strong anisotropy of the magnetic exchange in rare-earth compounds, Cs3-Yb2Cl9 and Cs3Yb2Br9 crystals are found to exhibit fully isotropic exchange coupling between Yb3+ tons. In this article, we attempt to reveal the physical origin of this surprising feature. Our theoretical consideration is based on a model of the kinetic exchange between two octahedrally coordinated Yb3+ ions in their ground Kramers doublet states. It is shown that a mechanism of kinetic exchange involving intercenter electron hopping between 4f orbitals of two Yb3+ ions in a face-shared binuclear unit results in fully Isotropie antiferromagnetic exchange coupling, while a mechanism in which the electron jumps from the 4f to the 5d orbital gives rise to a highly anisotropic interaction. Comparison of these results with the experimental data along with qualitative arguments regarding the relative significance of these two contributions to the overall exchange indicate that, in face-shared Yb3+ binuclear units, the 4f ↔ 4f mechanism plays a dominant role.

Original languageEnglish
Pages (from-to)3984-3992
Number of pages9
JournalInorganic Chemistry
Volume44
Issue number11
DOIs
StatePublished - 30 May 2005

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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