The key challenge for superior thermoelectric performance of SnTe is optimization of very high hole concentration (∼1021 cm−3) arising from inherent Sn vacancies. Partial control of charge carriers can be achieved by self-compensation via careful filling of the vacancies using excess Sn, although high thermal conductivity remained a concern. In this context, with deliberate doping, an anharmonicity in phonon dispersion can be generated to obtain a poor thermal conductivity. We report on point defects and soft phonon mode driven poor thermal conductivity in self-compensated Sn1.03Te with Mn doping. The obvious modification in the electronic band structure has been demonstrated by four times enhancement in thermopower for Sn0.93Mn0.1Te from Sn1.03Te, and metallic behavior of temperature dependent resistivity. The observed soft phonon mode and impurity localized mode in Raman spectra have been explained based on the created anharmonicity in Sn1.03Te crystal with Mn doping.
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