A theoretical model for tellurite-sulfates Na$_2$Cu$_5$(TeO$_3$)(SO$_4$)$_3$(OH)$_4$ and K$_2$Cu$_5$(TeO$_3$)(SO$_4$)$_3$(OH)$_4$
I. L. Bartolom/'e, L. Errico, V. Fernandez, M. Matera, A. V. Gil, Rebaza, and C. A. Lamas

TL;DR
This paper develops a theoretical model for two tellurite-sulfates, confirming previous speculations about their magnetic couplings and revealing Ising-like magnetization plateaux through numerical simulations.
Contribution
It introduces a compatible theoretical model for the new tellurite-sulfates and validates previous hypotheses about their magnetic interactions using advanced numerical techniques.
Findings
Model confirms mixture of ferromagnetic and antiferromagnetic couplings.
Reveals Ising-like magnetization plateaux at rational saturation values.
Supports previous literature on magnetic couplings.
Abstract
A theoretical model for two new tellurite-sulfates, namely NaCu(TeO)(SO)(OH) and KCu(TeO)(SO) (OH) is determined to be compatible with ab-initio calculations. The results obtained in this work show that some previous speculations in the literature about the couplings are correct, obtaining a model with a mixture of ferromagnetic and antiferromagnetic couplings. We use a combination of numerical techniques to study the magnetic properties of the model. Our numerical calculations based on the density-matrix renormalization group method reveal that the system presents Ising-like magnetization plateaux at rational values of the saturation magnetization.
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Taxonomy
TopicsCrystal Structures and Properties · High-pressure geophysics and materials · Solid-state spectroscopy and crystallography
