A supercell of silicon germanium alloyed crystal used in this study. Silicon atoms are randomly substituted by germanium atoms maintaining the perfect diamond structure.
The frequency dependent phonon relaxation time of silicon germanium alloyed crystals for various alloy fractions.
Averaged phonon relaxation time of alloyed crystals (circles) with respect to the germanium fraction. The averaged phonon relaxation time of the pure crystals with the average mass (triangles) is also plotted to indicate the influence of average mass on the relaxation time.
Phonon dispersion relations of alloyed crystals in the low frequency region obtained by lattice dynamics. (a) Si512Ge0 (Ge fraction 0%) and (b) Si448Ge64 (Ge fraction 12.5%).
The phonon group velocities of alloyed crystals, Si512Ge0 (x = 0%), Si498Ge16 (x = 3.13%), and Si448Ge64 (x = 12.5%).
Thermal conductivity of the alloyed crystals, compared with experiments and previous direct non-equilibrium simulations. Thermal conductivity was normalized by the value of pure silicon (x = 0%) obtained by each method.
Cumulative thermal conductivity of the alloyed crystals, normalized by the values of the total thermal conductivity.
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