Abstract
The aim of this study was to determine the actual position of Bi dopant in the magnesium silicide crystal lattice, which has never been conclusively confirmed. A series of samples with nominal compositions of Mg2Si1−xBix, where x=0–0.06 were prepared using the pulsed electric current sintering (PECS) technique. The structure and phase compositions were examined with the use of the X-ray diffraction method and scanning electron microscopy (SEM) with an energy-dispersive X-ray spectroscopy (EDS) attachment for analysis of chemical composition. Results of above analysis confirmed that the solubility of Bi impurity in the Mg2Si compound is up to x=0.027 and indicated a high uniformity of synthesized samples.For all samples far-infrared spectroscopy studies were performed. Additionally, the ab initio calculations of IR spectra for pure as well as Bi doped Mg2Si for different admixture location (Mg sublattice, Si sublattice and interstitial region) were carried out by means of Crystal09 program. The obtained results both experimental and calculated spectra, were used to determine the most probable location assumed by doping agent in Mg2Si structure.
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