Anhydrous copper tellurite disulfate Cu3TeO3(SO4)2 featuring the coexistence of spin singlets and a long-range antiferromagnetic order

Dalton Trans. 2023 Jul 11;52(27):9247-9253. doi: 10.1039/d3dt01290e.

Abstract

Anhydrous copper tellurite sulfate, Cu3TeO3(SO4)2, has been synthesized via vapor transport reactions in sealed silica glass ampoules. In measurements of magnetization M, magnetic susceptibility χ, specific heat Cp and X-band electron spin resonance, a long-range antiferromagnetic order at TN = 13 K and an H-T magnetic phase diagram have been established. One-third of Cu2+ ions were found to form magnetically silent dimers. A peak in dielectric permittivity ε, which accompanies the Néel order, allows considering Cu3TeO3(SO4)2 as a magnetoelectric multiferroic material of the second type. Density functional theory calculations provided estimations of leading exchange interaction parameters.