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arXiv 0804.3569cond-mat.supr-con

Crystallographic Phase Transition and High-Tc Superconductivity in LaFeAsO:F

Takatoshi Nomura, Sung Wng Kim, Yoichi Kamihara, Masahiro Hirano, Peter V. Sushko, Kenichi Kato, Masaki Takata, Alexander L. Shluger, Hideo Hosono

英文摘要:

Undoped LaFeAsO, 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 and the superconductivity appears correspondingly, suggesting a close associate of the anomaly with the superconductivity. We examined the crystal structures, magnetic properties and superconductivity of undoped (normal conductor) and 14 at.% F-doped LaFeAsO (Tc = 20 K) by synchrotron X-ray diffraction, DC magnetic measurements, and ab initio calculations to demonstrate 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 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.

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