CaCu2(SeO3)2Cl2: spin-1/2 Heisenberg chain compound with complex frustrated interchain couplings

TL;DR

This study investigates the crystal structure and magnetic properties of CaCu2(SeO3)2Cl2, revealing a spin-1/2 chain system with complex frustrated interchain couplings and potential for studying bond-randomness effects.

Contribution

It provides detailed structural, magnetic, and band-structure analysis of CaCu2(SeO3)2Cl2, highlighting its unique frustrated interchain interactions and potential for further bond-randomness research.

Findings

Magnetic behavior matches a uniform spin-1/2 chain model with 133 K exchange.

Presence of frustrated interchain couplings due to two inequivalent exchanges of 10 K.

Potential to investigate bond-randomness effects via Cl-Br substitution.

Abstract

We report the crystal structure, magnetization measurements, and band-structure calculations for the spin-1/2 quantum magnet CaCu2(SeO3)2Cl2. The magnetic behavior of this compound is well reproduced by a uniform spin-1/2 chain model with the nearest-neighbor exchange of about 133 K. Due to the peculiar crystal structure, spin chains run in the direction almost perpendicular to the structural chains. We find an exotic regime of frustrated interchain couplings owing to two inequivalent exchanges of 10 K each. Peculiar superexchange paths grant an opportunity to investigate bond-randomness effects under partial Cl-Br substitution.