Structural, magnetic, and electronic properties of a GdAsSe single crystal: Experimental and theoretical studies

This is the authors' abstract. We don't add key points for this paper.

We report high-quality single-crystal growth, x-ray diffraction, magnetic susceptibility [{χ}($T,H$)], magnetization [M(H)], heat capacity [CP(T,H)], electrical resistivity [{ρ}($T,H$)], and electron spin resonance (ESR) measurements of GdAsSe as functions of temperature and magnetic field. We identify an antiferromagnetic phase transition at TN~11.9±0.2 K and construct magnetic phase diagrams for $H||ab$ and $H||c$ axes based on the {χ}($T,H$) and CP($T,H$) data. Isothermal M(H) curves along the $H||ab$ direction at 3 K exhibit a field-induced spin orientation at HC~3.780.16em0exT. Both M(H) and {χ}($T,H$) indicate an easy-plane-type anisotropy. The Curie-Weiss analysis of the high-temperature paramagnetic {χ}(T) yields a negative Weiss temperature, suggesting dominant antiferromagnetic interactions between the Gd ions. Magnetic entropy reaches 83% of R ln8 at TN. The presence of residual entropy above TN and the persistence of ESR critical broadening up to ~3TN alludes to a degree of magnetic frustration in the studied material. The {ρ}(T) data above TN is well fitted to the Bloch-Gr\"uneisen theory for metals. Further, density functional theory calculations reveal an antiferromagnetic ground state where the Gd atoms are coupled ferromagnetically in the $ab$ plane and antiferromagnetically along the c axis.