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Superconductivity in the (Ba1−xSrx)8Si46 clathrates (x⩽0.75): Experimental and ab initio investigation

P. Toulemonde, Ch. Adessi, X. Blase, A. San Miguel, J. L. Tholence

DOI 10.1103/PhysRevB.71.094504 · Physical Review B

T1

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Abstract

Si clathrates (Ba1−xSrx)8Si46 with x⩽0.75 have been successfully synthesized and their superconductivity studied both experimentally and by ab initio calculations. The linear decrease of the cubic lattice parameter with the Sr content shows the continuous shrinkage of the constituting (Ba∕Sr)@Si20 and (Ba∕Sr)@Si24 cages, while the critical superconducting transition temperature Tc decreases from 8Kto4.1K at 75% of substitution. The experimentally extrapolated value for the Tc of the hypothetical Sr8Si46 is in good agreement with the calculated one of 3K. The lower contribution of the Sr d-electrons to the density of states at the Fermi energy explains the observations.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Ba8Si46

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8Pressure not reportedonset
(Ba0.75Sr0.25)8Si46

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7.2Pressure not reportedonset
(Ba0.50Sr0.50)8Si46

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5.3Pressure not reportedonset
(Ba0.25Sr0.75)8Si46

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4.1Pressure not reportedonset
Sr8Si46

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3Pressure not reportedunknown

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