Local structural studies of Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\) using atomic pair distribution function analysis

Systematic local structural studies of Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\) system are undertaken at room temperature using atomic pair distribution function (PDF) analysis. The local structure of the Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\) is found to be well described by the long-range structure extrac...

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Bibliographic Details
Published in:arXiv.org 2011-03
Main Authors: Joseph, B, Zinth, V, Brunelli, M, Maroni, B, Johrendt, D, Malavasi, L
Format: Article
Language:English
Subjects:
Distribution functions
Doping
Function analysis
Unit cell
Online Access:Get full text
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Summary:Systematic local structural studies of Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\) system are undertaken at room temperature using atomic pair distribution function (PDF) analysis. The local structure of the Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\) is found to be well described by the long-range structure extracted from the diffraction experiments, but with anisotropic atomic vibrations of the constituent atoms (\(U_{11}\) = \(U_{22} \ne U_{33}\)). The crystal unit cell parameters, the FeAs\(_4\) tetrahedral angle and the pnictogen height above the Fe-plane are seen to show systematic evolution with K doping, underlining the importance of the structural changes, in addition to the charge doping, in determining the properties of Ba\(_{1-x}\)K\(_x\)Fe\(_2\)As\(_2\).
ISSN:2331-8422
DOI:10.48550/arxiv.1103.0294