# From kagome strip to kagome lattice: Realizations of frustrated S=1/2 antiferromagnets in Ti(III) fluorides

## TL;DR

This paper links frustrated kagome antiferromagnets with newly synthesized Ti(III) fluoride materials, using computational methods to understand their magnetic behavior and interpolate between kagome strip and lattice structures.

## Contribution

It establishes the Heisenberg Hamiltonians for specific Ti(III) fluoride compounds and connects experimental magnetization data with theoretical models.

## Key findings

- Magnetization curves match experimental data.
- Identifies magnetization-plateau at 1/3 saturation.
- Predicts behaviors at higher magnetic fields.

## Abstract

We investigate the connection between highly frustrated kagome based Hamiltonians and a recently synthesized family of materials containing Ti3+ S=1/2 ions. Employing a combination of all electron density functional theory and numerical diagonalization techniques, we establish the Heisenberg Hamiltonians for the distorted kagome antiferromagnets Rb2NaTi3F12, Cs2NaTi3F12 and Cs2KTi3F12. We determine magnetization curves in excellent agreement with experimental observations. Our calculations successfully clarify the relationship between the experimental observations and the magnetization-plateau behavior at 1/3 height of the saturation and predict characteristic behaviors under fields that are higher than the experimentally measured region. We demonstrate that the studied Ti(III) family of materials interpolates between kagome strip and kagome lattice.