Quantitative analysis of interstitial Mg in Mg2Si studied by single crystal X-ray diffraction

Enhanced Thermoelectric Performance in Mg2Si by Functionalized Co‐Doping

“…The density () for the compacted pellets were measured using Archimedes' principle in water. The theoretical density for Mg 2 Si using the reported lattice parameter 6.3521 Å is 1.987 g cm −3 . The measured values of density are slightly higher (≈1.9%) than the theoretical reported values.…”

“…In this work, improvement of thermoelectric efficiency of n‐type Mg 2 Si is attempted by co‐doping. The traditional n‐type dopants for magnesium silicide are Sb and Bi . Al has also been successfully incorporated as an n‐type dopant …”

“…[8] Magnesium silicide crystallizes in the cubic anti-fluorite structure with space group F m-3 m(225) and lattice parameter of 6.3521 (7) Å. [9] The material has indirect bandgap of 0.77 eV with the conduction band minima at X point and valence band maxima at Γ point. The conduction band is doubly degenerate with an inter-band separation of 0.4 eV.…”

Electronic structure and thermoelectric properties of boron doped Mg2Si

“…The lattice constant of the samples was evaluated using the Rietveld analysis program, RIETAN-FP [31]. The Rietveld analysis was performed using the XRD patterns, except for the 111 peak, by reference to our previous study [24]. The Seebeck coefficient and electrical conductivity were simultaneously measured from 300 K to 850 K under vacuum using an automated Seebeck tester (Ozawa Science, RZ2001i).…”

“…Mg 2 Si crystallizes in an anti-fluorite-type crystal structure of Fm3m space group, wherein the 8c (1/4 1/4 1/4) and the 4a (0 0 0) sites are occupied by Mg and Si, respectively [23]. In addition, Mg 2 Si contains a small amount of Mg atoms at the 4b (1/2 1/2 1/2) interstitial sites [24,25]. Hereafter, we denote an Mg atom at an interstitial site as Mg i .…”