Local structural studies of Ba1 −xKxFe2As2using atomic pair distribution function analysis

B Joseph, V Zinth, M Brunelli, B Maroni, D Johrendt, L Malavasi
2011 Journal of Physics: Condensed Matter  
Systematic local structural studies of Ba_1-xK_xFe_2As_2 system are undertaken at room temperature using atomic pair distribution function (PDF) analysis. The local structure of the Ba_1-xK_xFe_2As_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 U_33). The crystal unit cell parameters, the FeAs_4 tetrahedral angle and the pnictogen height above the Fe-plane are
more » ... n 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-xK_xFe_2As_2.
doi:10.1088/0953-8984/23/11/112202 pmid:21358020 fatcat:dz2zsalmljbi3chgvre62jzcii