Crystallographic phase transition and high-Tc superconductivity in LaFeAsO:F

By Takatoshi Nomura, Sung Wng Kim, Y. Kamihara, M. Hirano, P. Sushko, K. Kato, M. Takata, Alexander L. Shluger, Hideo Hosono. 2008

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Undoped LaFeAsO, the parent compound of the newly found high-Tc superconductor, exhibits a sharp decrease in the temperature-dependent resistivity at ∼160 K. The anomaly can be suppressed by F doping with simultaneous appearance of superconductivity appears correspondingly, suggesting a close association of the anomaly with the superconductivity. We examined the crystal structures, magnetic properties and conductivity of undoped (normal conductor) and 14 at.% F-doped LaFeAsO (Tc = 20 K) by synchrotron x-ray diffraction (XRD), DC magnetic measurements, and ab initio calculations demonstrated that the anomaly is associated with a phase transition from tetragonal (P4/nmm) to orthorhombic (Cmma) phases at ∼160 K as well as an antiferromagnetic spin ordering transition at ∼140 K. These transitions can be explained by spin configuration-dependent potential energy surfaces derived from the ab initio calculations. The suppression of the transitions is ascribed to interrelated effects of geometric and electronic structural changes due to doping by F− ions.

Subfields: Accounting, Condensed Matter Physics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/a6cd512435fb1ba2240fe811aaafe86348051562

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In Electronic, Optical and Magnetic Materials

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