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

Superconductivity 2011-03-03 v1

Abstract

Systematic local structural studies of Ba1x_{1-x}Kx_xFe2_2As2_2 system are undertaken at room temperature using atomic pair distribution function (PDF) analysis. The local structure of the Ba1x_{1-x}Kx_xFe2_2As2_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 (U11U_{11} = U22U33U_{22} \ne U_{33}). The crystal unit cell parameters, the FeAs4_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 Ba1x_{1-x}Kx_xFe2_2As2_2.

Keywords

Cite

@article{arxiv.1103.0294,
  title  = {Local structural studies of Ba$_{1-x}$K$_x$Fe$_2$As$_2$ using atomic pair distribution function analysis},
  author = {B. Joseph and V. Zinth and M. Brunelli and B. Maroni and D. Johrendt and L. Malavasi},
  journal= {arXiv preprint arXiv:1103.0294},
  year   = {2011}
}
R2 v1 2026-06-21T17:33:53.288Z