Single crystal synthesis and physical property of Ba8Cu1·0Ni2.5Ga10Si33.5 clathrate.

ABSTRACT

This study reports the synthesis of type-I Ba8CuNi2.5Ga10Si33.5 clathrate as a single crystal by the flux method and physical properties investigations such as structural, chemical, magnetic, and thermal properties. Structural refinements indicate Ba atoms are situated at 2a and 6d positions with mixed occupancy across framework sites. Raman spectroscopy assessed host-guest interactions, while the compound's morphology and composition were investigated by the scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS) analyses. Magnetic properties revealed ferromagnetic interactions characterized by a positive Weiss constant and weak ferromagnetic hysteresis. The compound's metallic nature is evidenced by increased resistivity with temperature. The Sommerfeld coefficient, estimated at 12.59 mJ mol-1 K-2 from heat capacity data, alongside a pronounced peak around 15 K in the Cp/T3 vs T plot, suggests an Einstein contribution in heat capacity.