量研学術機関リポジトリ「QST-Repository」は、国立研究開発法人 量子科学技術研究開発機構に所属する職員等が生み出した学術成果（学会誌発表論文、学会発表、研究開発報告書、特許等）を集積しインターネット上で広く公開するサービスです。 Welcome to QST-Repository where we accumulates and discloses the academic research results(Journal Publications, Conference presentation, Research and Development Report, Patent, etc.) of the members of National Institutes for Quantum and Radiological Science and Technology.
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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.
From kagome strip to kagome lattice: Realizations of frustrated S=1/2 antiferromagnets in Ti(III) fluorides
