From kagome strip to kagome lattice: Realizations of frustrated S= 12 antiferromagnets in Ti(III) fluorides

We investigate the connection between highly frustrated kagome based Hamiltonians and a recently synthesized family of materials containing Ti3+S=12 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 13 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 the kagome strip and kagome lattice.