Intrinsic peculiarities of real material realizations of a spin-1/2 kagome lattice

TL;DR

This paper investigates the intrinsic properties of real spin-1/2 kagome materials, revealing how exchange interactions depend on structural details and highlighting the importance of diagonal exchanges in their magnetic behavior.

Contribution

It provides a detailed analysis of how structural factors influence exchange interactions and magnetic ground states in real kagome lattice materials.

Findings

Exchange integrals depend strongly on O--H distances.

Diagonal exchange interactions are crucial for magnetic properties.

Real materials exhibit intrinsic peculiarities affecting their low-temperature excitations.

Abstract

Spin-1/2 magnets with kagome geometry, being for years a generic object of theoretical investigations, have few real material realizations. Recently, a DFT-based microscopic model for two such materials, kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2, was presented [O. Janson, J. Richter and H. Rosner, arXiv:0806.1592]. Here, we focus on the intrinsic properties of real spin-1/2 kagome materials having influence on the magnetic ground state and the low-temperature excitations. We find that the values of exchange integrals are strongly dependent on O--H distance inside the hydroxyl groups, present in most spin-1/2 kagome compounds up to date. Besides the original kagome model, considering only the nearest neighbour exchange, we emphasize the crucial role of the exchange along the diagonals of the kagome lattice.