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Structural phase transition below 250 K in superconducting K0.75Fe1.75Se2

A. Ignatov, A. Kumar, P. Lubik, R. H. Yuan, W. T. Guo, N. L. Wang, K. Rabe, G. Blumberg

DOI 10.1103/PhysRevB.86.134107 · Physical Review B

T1

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Abstract

Vibrational properties of iron-chalcogenide superconductor K0.75Fe1.75Se2 with Tc∼ 30 K have been measured by Raman and optical spectroscopies over the temperature range 3–300 K. The sample undergoes I4/m→I4 structural phase transition accompanied by loss of inversion symmetry at T1, below 250 K, observed as the appearance of new fully symmetric Raman mode at ∼165 cm−1. Small vibration mode anomalies are also observed at T2∼ 160 K. From first-principles vibrational analysis of antiferromagnetic K0.8Fe1.6Se2 utilizing pseudopotentials all observed Raman and infrared modes have been assigned and the displacement patterns of the new Raman mode identified as involving predominantly the Se atoms.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
K0.75Fe1.75Se2

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30Pressure not reportedunknown
K0.8Fe1.6Se2

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

30Pressure not reportedunknown

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