Figure 6 | Scientific Reports

Figure 6

From: Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects

Figure 6

(a) Temperature-dependent κL of Co(Sb1-xAsx)3. The ab-initio and experimental results from Refs 26, 29 (single crystal) and 40 (polycrystal) are represented by lines and symbols, respectively. “M” means only the mass variance is considered while “MS” incorporates the effects of both mass variance and strain field fluctuation. Comparisons between the longitudinal force constants of Co4Sb12 (b) and Co4Sb11As1 (c) obtained from first principles are also shown. Co atoms 1–4 and Sb atoms 5–16 are colored by blue and purple, respectively. The Sb atom 16 is substituted by As and represented by yellow color.

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