Magnetic properties and electronic structure ofJeff= 1/2 square lattice quantum magnet Bi2ErO4Cl.

Abstract

Two-dimensional rare-earth-based square lattice quantum magnets provide a pathway to achieve distinctive ground states characterized by unusual excitations. We investigate the magnetic, heat capacity, structural, and electronic properties of a magnetic system Bi₂ErO₄Cl. This compound features a structurally ideal two-dimensional square lattice composed of Er³⁺rare-earth magnetic ions. The single-phase polycrystalline sample was synthesized using hydrothermal, followed by a vacuum-sealed tube technique. The analysis of heat capacity and magnetic data indicates that the Er³⁺ion adopts aJ_eff= 1/2 state at low temperatures. Fitting the Curie-Weiss law to the low-temperature magnetic susceptibility data reveals a Curie-Weiss temperature of approximately -2.1 K, suggesting antiferromagnetic (AFM) interactions between the Er³⁺moments. Our first-principles calculations validate a two-dimensional spin model relevant to the titled Er compound. The presence of AFM interaction between the Er³⁺ions is further confirmed using total energy calculations (LDA+U), aligning with the experimental results. The heat capacity measurements reveal the presence of magnetic long-range order belowT_N= 0.47 K. The magnetic heat capacity data followsT^1.8power law dependence belowT_N.