Thermoelectric properties of heavily GaP- and P-doped Si0.95Ge0.05

The Seebeck coefficient S, the electrical resistivity ρ and the thermal conductivity κ of Si0.95Ge0.05 samples doped with 0.4 at. % P and/or 0.5–2.0 mol % GaP, which were prepared by a conventional arc melting method, were measured as functions of GaP content and temperature T in the range from 323 to 1208 K. When multidoped with P and GaP, Ga tends to segregate more strongly with Ge to the grain boundaries than P, while when doped with GaP alone, both P and Ga segregate equally strongly with Ge. For multidoped samples, the S values at 323 K have a minimum at 1.0 mol % GaP and then increase with additional GaP, while the values of ρ and κ decrease monotonically with increasing GaP content. The optimum additional content of GaP that gives the largest thermoelectric figures of merit (ZT=S2T/κρ) for multidoped n-type Si0.95Ge0.05 samples was 1.5 mol %, which is slightly less than the 2.0 mol % of GaP added to Si0.8Ge0.2 alloy by hot pressing. The ZT value for multidoped Si0.95Ge0.05 with an optimum content of GaP increases linearly with temperature, and at 1073 K is 18% higher than that obtained previously for Si0.95Ge0.05 doped with only 0.4 at. % P. At 1173 K the ZT value is 1.16, which corresponds to 95% of that obtained previously at the corresponding temperature for Si0.8Ge0.2 alloy doped with 2.0 mol % GaP.