Fig. 2: Characterizations of the phases of as-prepared (GeSe)1−x(Sb2Te3)x samples.
From: Metavalent alloying and vacancy engineering enable state-of-the-art cubic GeSe thermoelectrics
a Room-temperature powder X-ray diffraction (XRD) patterns. Calculated b lattice parameters a, b, c and c bond distances. Here, 0.1% error bar is employed. Variable-temperature XRD patterns for d x = 0.075 and e x = 0.01 samples. f Calculated formation energy of Ge vacancy for orthorhombic GeSe, cubic GeSe, and cubic (GeSe)0.9(Sb2Te3)0.1. g Phase structure and vacancy concentration evolution upon Sb2Te3 alloying according to the XRD Rietveld refinement results.
