Cubic-phase
AgSbSe2 has been known as a decent p-type
thermoelectric material, due to its intrinsically
low lattice thermal conductivity; nevertheless, the difficulty in
modulating its electrical transport performance impeded its further
competition with other state-of-the-art mid-temperature thermoelectrics.
In this work, we investigated the effects of Pb doping and Sb vacancies
on modulating the thermoelectric properties of AgSbSe2.
Pb doping was found to be able to obviously increase the hole concentration,
leading to a descending of Fermi level well into the multiple valence
bands, thus leading to an enhanced band degeneracy; subsequent Sb
vacancies could play the role of relaxing the local lattice strains
due to PbSb substitution, resulting in a weakened charge
carrier scattering and enhanced weighted mobility. Consequently, a
peak power factor PF
max of 7.5 μW
cm–1 K–2 at 523 K was achieved
in the composition of AgSb0.935Pb0.06Se2, which is 40% higher than that of pristine AgSbSe2. Furthermore, Pb doping and Sb vacancies induce enhanced point defect
scattering of high-frequency heat-carrying phonons, yielding a reduced
lattice thermal conductivity and a remarkably enhanced maximal ZT
max value of 1.02 at 723 K in the sample AgSb0.935Pb0.06Se2.