Charge redistribution and local lattice structure of (F, Zn)-codoped LaFeAsO superconductor

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To understand the abnormal behavior of the superconducting transition temperature (Tc) because of the presence of a non-magnetic Zn impurity in the (F, Zn)-codoped LaFeAsO system (Li et al 2010 New J. Phys. 12 083008), we investigated its unique electronic and local structures via x-ray absorption spectroscopy and first-principles calculations. The data obtained showed that the presence of a Zn impurity induces an electron transfer from As to Fe atoms in both the F-underdoped and -overdoped regions. Moreover, due to the lattice mismatch, the local lattice structure is finely modulated by both F and Zn impurities. Actually, in the F-underdoped region doping by Zn is associated with regular FeAs4 tetrahedra, while distorted FeAs4 tetrahedra occur in the F-overdoped region where superconductivity is significantly suppressed.

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