Speaker
Description
The ternary CeTX (T = d-electron transition metal and X = p-electron element) compounds exhibit a wide range of interesting phenomena depending on the degree of hybridization between the 4f electrons and the conduction electrons. A substantial experimental work has investigated the physical and transport properties of these compounds. The metallic behavior exhibited by these compounds acts as a strong stabilizer, giving rise to the Kondo effect, metal-insulator transitions, other phase transitions, and semiconducting behavior. A family of hexagonal intermetallic compounds, CeCuGe, CeAuGe, and CeCuSi, has previously been reported to exhibit a ferromagnetic ground state at Tc = 10 K, 10 K, and 15 K, respectively. Despite a fairly large number of studies on these compounds, there are limited theoretical investigations. In this study, we have calculated the structural, electronic, and vibrational properties of the CeCuGe compound using density functional theory to further elucidate its structural, stability, and magnetic properties. The magnetic calculations confirm that the compound exhibits ferromagnetic behavior and that Ce³⁺ ions are the only source of the compound's magnetism, as illustrated by the experimental work. Finally, the phonon calculations confirm that CeCuGe is dynamically stable.
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