Figure 1 | Scientific Reports

Figure 1

From: Enhanced thermoelectric performance of a chalcopyrite compound CuIn3Se5−xTex (x = 0~0.5) through crystal structure engineering

Figure 1

(a) Lattice constants a and c as a function of Te content (x value) in CuIn3Se5−xTex, they all increase linearly with x value; (b) Anion position displacement ∆u = 0.25−u, which decreases with x value. At x = 0.1, ∆u = 0.15 × 10−3, while at x ≈ 0.15, ∆u = 0; (c) Mean cation-Se distance dCu-Se and dIn-Se as a function of Te content (x value), at x ≈ 0.15, i.e. ∆u = 0, the difference between dCu-Se and dIn-Se gets the minimum.

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