Synchrotron Study of Ag-Doped Mg2Si: Correlation Between Properties and Structure

Abstract

The crystal structure of Ag-doped Mg2Si was investigated using synchrotron and neutron powder diffraction analysis, including in situ synchrotron x-ray powder diffraction patterns, recorded during a thermal cycle from room temperature up to 600°C. Rietveld refinement of diffraction patterns indicated that Ag doping results in partial substitution at Si sites. During heating, the Mg2Si lattice parameters exhibited a shift in the temperature dependence at 300°C to 350°C, which was attributed to Ag precipitation out of Mg2Si1−xAgx solid solution. In turn, an increase of the Ag present in the Mg2Si lattice after 350°C could be linked to thermally activated diffusion of Ag from β-AgMg phase. The Ag-dopant migration may explain previously outlined instabilities in the thermopower of Ag-doped Mg2Si, e.g., the drop of the Seebeck coefficient value after heating to 150°C to 200°C and its subsequent increase after 350°C to 450°C.