6–10 Jul 2026
University of the Western Cape
Africa/Johannesburg timezone
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First principles study of the structural, electronic, magnetic, thermodynamic, and electrical transport properties of PrCuGe3, ternary intermetallic compound

9 Jul 2026, 09:50
20m
Lecture Hall GH1 (University of the Western Cape)

Lecture Hall GH1

University of the Western Cape

Oral Presentation Track A - Physics of Condensed Matter and Materials Physics of Condensed Matter and Materials

Speaker

Dr Mubarak Yagoub (University of Johannesburg)

Description

The PrCuGe3 compound exhibits a wide range of interesting phenomena depending on the degree of hybridization between the 4f electrons and the conduction electrons. A considerable experimental work has investigated the structural, magnetic, thermodynamic, and electrical transport properties of this compound. For example, in the literature PrCuGe3 is reported to undergo a long-range ferromagnetic ordering at Tc = 23 K followed by a transition below Ttr= 17 K. Furthermore, Tc is reported to have a large associated anomaly in the magnetic susceptibility measurement and small anomalies displayed in the specific heat and electrical resistivity measurements. The metallic behavior acts as a stronger stabilizer, giving rise to the Kondo effect, heavy fermion behavior, and other phase transitions. Despite a fairly large number of experimental studies on ternary intermetallic compounds, there are limited theoretical investigations. In this study, we have calculated the structural, magnetic, thermodynamic, and electronic properties of the PrCuGe3 compound using density functional theory to further elucidate its structural, magnetic, thermodynamic, and electrical transport properties. The magnetic calculations confirm that the compound displays ferromagnetic behaviour, and the Pr3+ is the sole source of magnetism. Finally, the dynamic stability of PrCuGe3 is confirmed from the phonon calculations.

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Author

Mr Samson Simelane (University of Johannesburg)

Co-authors

Prof. Buyi Sondezi (University of Johannesburg) Dr Mubarak Yagoub (University of Johannesburg)

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