Data repository for "Pushing thermal conductivity to its lower limit in crystals with simple structures"

Explanations:

fig.1-data

Source data of experimental thermal conductivity of AgTlI2 in this work and other simple crystal materials from previous studies (Tl3VSe4, AgI, AgBr, AgCl, InTe, PbSe, PbTe, AgCrSe2).

fig.2-data

Fig. 2a: Source data of experimental ADP of Cu and Ag atoms in some complex crystals (BiCuOTe, CuSbS2, BiCuOSe, BiCuOS, CsCu4Se3, KCu5Se3, CuBiS2, CsCu5Se3, Tl2Ag12Te7, KAg3Se2, Tl2Ag12Se7, AgTlI2, Cu12Sb4S13) at 300 K.

Fig. 2b: Calculated anharmonic parameters of some simple crystals (PbSe, PbTe, AgBr, AgCl, InTe, TlSe, Tl3VSe4, AgTlI2) and their corresponding experimental thermal conductivities at 300 K.

Fig. 2c: Time dependent anharmonic parameter of AgTlI2 at 300 K.

fig.3-data

Phonon linewidths

fig.4-data

Thermal conductivities based on unified theory

fig.5-data

Fig. 5 is simply an illustration and doesn't require any specific data.