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Peculiar crystal structure and strong-rung spin ladders in KCu2BiO2(SO4)2статья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Shvanskaya Larisa, Bushneva Tatiana, Chareev Dmitry, Maksimov Pavel, Sudakov Alexander, Kornienko Ekaterina, Ushakov Alexey, Streltsov Sergey, Vasiliev Alexander
- Журнал: Inorganic Chemistry
- Том: 65
- Номер: 1
- Год издания: 2026
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 395
- Последняя страница: 402
- DOI: 10.1021/acs.inorgchem.5c04485
- Аннотация: KCu2BiO2(SO4)2, has been grown by chemical vapor transport and characterized by single-crystal X-ray diffraction. It crystallizes in orthorhombic Pnma space group with a = 22.8761(8), b = 5.1961(2), c = 7.2083(2) Å, V = 856.83(5) Å3, Z = 4. Its peculiar crystal structure is organized by heteropolyhedral layers built by edge- and vertex-sharing CuO5 and BiO8 polyhedra. Potassium cations are embedded between the layers, which are additionally reinforced by SO4 tetrahedra. The temperature dependence of magnetic susceptibility evidences a broad hump at Tmax ~ 122 K, accompanied by the Curie tail at lowest temperatures, while the temperature dependence of specific heat features no anomalies ascribable to the phase transition in the whole temperature range. Ab-initio calculations demonstrate that the exchange interaction pattern in this material is highly non-trivial. A specific orbital ordering results in the strongest coupling being that of the third-nearest neighbors. This leads to the formation of a spin ladder, a structure not directly apparent from crystallographic considerations. There are strong antiferromagnetic interactions on both the rung (J′ = 264 K) and leg (J = 140 K) of the ladder, which result in an energy gap of Δ = 161 K in the magnetic excitation spectrum. The Pade approximation of the experimental data provides somewhat lower values of J′ = 205 K and J = 117 K, yielding an energy gap of Δ = 121 K. The ground state of KCu₂BiO₂(SO₄)₂ is a robust quantum spin liquid.
- Добавил в систему: Шванская Лариса Викторовна
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