@article{c961bf538b254a31bbd84e8b3335f9fa,
title = "From kagome strip to kagome lattice: Realizations of frustrated S= 12 antiferromagnets in Ti(III) fluorides",
abstract = "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.",
author = "Jeschke, {Harald O.} and Hiroki Nakano and T{\^o}ru Sakai",
note = "Funding Information: Acknowledgments. We wish to thank Professor Kazuyoshi Yoshimura for fruitful discussions. This work was partly supported by JSPS KAKENHI Grants No. 16K05418, No. 16K05419, No. 16H01080 (JPhysics), and No. 18H04330 (JPhysics). Nonhybrid thread-parallel calculations in numerical diagonalizations were based on titpack version 2 coded by H. Nishimori. In this research, we used the computational resources of Fujitsu PRIMERGY CX600M1/CX1640M1(Oakforest-PACS) provided by Joint Center for Advanced High Performance Computing through the HPCI System Research project (Project ID No. hp180053). Some of the computations were performed using the facilities of the Department of Simulation Science, National Institute for Fusion Science; Institute for Solid State Physics, The University of Tokyo; and Supercomputing Division, Information Technology Center, The University of Tokyo. Publisher Copyright: {\textcopyright} 2019 American Physical Society.",
year = "2019",
month = apr,
day = "24",
doi = "10.1103/PhysRevB.99.140410",
language = "English",
volume = "99",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "14",
}