Article Dans Une Revue Physical Review B Année : 2024

Bi2YbO4Cl: A two-dimensional square-lattice compound with Jeff= 12 magnetic moments

Résumé

The interplay between the quantum effects from low-dimensionality and the spin-orbit coupling leads to exotic ground states with unusual excitations. We report the structural, magnetic, heat capacity, and electronic structure studies of Bi2YbO4Cl, which constitutes a structurally perfect 2D square lattice with rare-earth magnetic Yb3+ ions. The magnetization and heat capacity data analysis confirms that the Yb3+ ion hosts the spin-orbit driven Jeff=12 state at low temperatures. From the fit to the Curie-Weiss law on the magnetic susceptibility data in the low-temperature region, the observed Curie-Weiss temperature is about -1 K, implying an antiferromagnetic (AFM) coupling between the Yb3+ moments. The heat capacity data show the presence of a broad maximum at 0.3 K and the absence of any sharp magnetic anomaly down to 0.09 K, indicating the onset of short-range correlations. Our first-principles calculations based on density functional theory provide further insight into the role of the microscopic parameters. In particular, it points out the crucial role of spin-orbit coupling in driving both the Jeff=12 state as well as the antiferromagnetic interaction between the nearest-neighbor Yb3+ moments that is consistent with experimental results. The total energy calculations suggest an easy-axis (out-of-plane) anisotropy of the spins.

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Dates et versions

hal-04870823 , version 1 (07-01-2025)

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V.K. Singh, K. Nam, M. Barik, K. Boya, E. Kermarrec, et al.. Bi2YbO4Cl: A two-dimensional square-lattice compound with Jeff= 12 magnetic moments. Physical Review B, 2024, 109 (7), ⟨10.1103/PhysRevB.109.075128⟩. ⟨hal-04870823⟩
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