Optimizing the performance of thermoelectric materials
by reducing
its thermal conductivity is crucial to enhance its thermoelectric
efficiency. Novel thermoelectric materials like the CuGaTe2 compound are hindered by high intrinsic thermal conductivity, which
negatively impacts its thermoelectric performance. In this paper,
we report that the introduction of AgCl by the solid-phase melting
method will influence the thermal conductivity of CuGaTe2. The generated multiple scattering mechanisms are expected to reduce
the lattice thermal conductivity while maintaining sufficient good
electrical properties. The experimental results were supported by
first-principles calculations confirming that the doping of the Ag
will decrease the elastic constants, bulk modulus, and shear modulus
of CuGaTe2, which makes the mean sound velocity and Debye
temperature of Ag-doped samples lower than those of CuGaTe2, indicating the lower lattice thermal conductivity. In addition,
the Cl elements within the CuGaTe2 matrix escaping during
the sintering process will create holes of various sizes within the
sample. These combined effects of holes and impurities will induce
phonon scattering, which further reduces the lattice thermal conductivity.
Based on our findings, we conclude that the introduction of AgCl into
CuGaTe2 has shown a lower thermal conductivity without
compromising the electrical performance, resulting in an ultra-high
ZT value of 1.4 in the (CuGaTe2)0.96(AgCl)0.04 sample at 823 K.
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