Fig. 2: Thermal transport properties and crystal structure for Cu4Sn7S16. | npj Computational Materials

Fig. 2: Thermal transport properties and crystal structure for Cu4Sn7S16.

From: Number mismatch between cations and anions as an indicator for low lattice thermal conductivity in chalcogenides

Fig. 2

a κL as a function of temperature for various Cu-based chalcogenides. Data are taken from the followings: CuFeS2 (ref.22), Cu2SnS3 (this work), skutterudites (ref.16), clathrates (ref.17), Cu12Sb4S13 (ref.23), Cu2Se (ref.12), Cu3SbSe3 (ref.24), and Cu4Sn7S16 (this work, Supplementary Fig. 4). b Cp/T versus T2 for Cu4Sn7S16. The black squares are the experimental data. The red solid line represents the fitted curve by taking account the electronic, one Debye and two Einstein modes, which are shown by the dashed lines. Fitting parameters are given in Supplementary Table 2. c Phonon scattering mechanisms in Cu4Sn7S16. U, B, PD, and RES denote the Umklapp process, grain-boundary scattering, point-defect scattering and resonant scattering, respectively. Fitting parameters are given in Supplementary Table 3. d Crystal structure of Cu4Sn7S16 and local coordination of three types of Cu atoms.

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