Multiferroic ordering and dielectric anomalies in a short linker samarium based lanthanide MOF: a combined experimental and DFT study

Abstract In this work, we report on the multiferroic behavior of a short-linker Samarium-based metal-organic framework (MOF). Ferroelectric ordering was investigated through temperature and frequency-dependent dielectric constant, dielectric loss, and electric hysteresis loop measurements. Two distinct dielectric anomalies were observed at 323 K and 409 K, corresponding to hydroxyl group ordering and the dehydration in MOF respectively. The dielectric nonlinearity parameter was quantified using the Landau-Devonshire phenomenological theory. Magnetic hysteresis loops, zero-field-cooled and field-cooled magnetization curves confirmed magnetic ordering upto 300 K. Density functional theory calculations incorporating spin–orbit coupling revealed a semiconducting nature with a band gap of 3.025 eV and a magnetic moment of 0.081 μ B per unit cell, consistent with experimental saturation magnetization values ranging from 0.067 μ B at 100 K to 0.061 μ B at 300 K. The sharp temperature dependence of magnetic coercivity and remanent magnetization, low dielectric loss, and suitable band gap highlights the potential of this MOF for cryogenic sensors, nonlinear optical devices, and optoelectronic applications.