Sign determination of the 57 Fe electric-field gradient in Al-based crystals and icosahedral quasicrystals

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Abstract
The icosahedral quasicrystals i-AIMn, isomorphically substituted by 28 at.% Fe or by a mixture of (CrFe) atoms, have been studied for the first time by in-field Mössbauer spectroscopy in order to determine the sign and asymmetry parameter of the dominant electric-field gradient (EFG) term. In addition, the orthorhombic o-Al(MnFe) and cubic α- and hexagonal β-Al(MnFe)Si crystalline phases have been studied. We show that the previous Mössbauer results are inadequate for determining whether there are two sites in the quasicrystalline structure in the ratio of the golden number. Our results for i-Al(MnFe) show that the dominant EFG is negative, with an asymmetry parameter of about 0·6. For i-Al(CrFe), essentially no deviations are found from the model of Czjzek or the Gaussian isotropic model. One crystalline phase, the hexagonal β phase, is found to have a very similar quadrupole effect to that found in i-Al(MnFe). In addition it is found that this phase undergoes a change which is at least partly of magnetic origin.