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Article Dans Une Revue Solid State Sciences Année : 2023

Boron-induced phase transformation of ternary cerium boron silicides

Résumé

Samples of the alloys CeSi2–хBх (x = 0, 0.1, 0.2, 0.4, and 0.5) were prepared and their crystal structures, electrical and magnetic properties were determined. Depending on the amount of boron, x, the phases CeSi2–хBх crystallize in the α-ThSi2 structure type (x = 0, 0.1), or in the α-GdSi2 structure type (x = 0.2, 0.4). Interestingly, as determined by means of X-ray single crystal diffraction crystallizes, CeSi1·5B0.5 crystallizes in the AlB2 structure type (space group P6/mmm, a = 3.9922 (2), c = 4.3053 (4) Å, 191 reflections with Io ≥ 2σ(Io), R1 = 0.019, wR2 = 0.042). Measurements of the electrical and magnetic properties indicate that phases CeSi2-xBx (x = 0, 0.1, 0.2, 0.4, 0.5) are metallic in character and that phases with B substitution x ≥ 0.2 exhibit correlated magnetic behavior, typically below ∼15 K. Density functional theory calculations were performed to elucidate the change of electronic and physical properties upon boron substitution.
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Dates et versions

hal-04303421 , version 1 (29-11-2023)

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Volodymyr Babizhetskyy, Reinhard K. Kremer, Regis Jardin, Régis Gautier, Bruno Fontaine, et al.. Boron-induced phase transformation of ternary cerium boron silicides. Solid State Sciences, 2023, Solid State Sciences, pp.107378. ⟨10.1016/j.solidstatesciences.2023.107378⟩. ⟨hal-04303421⟩
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