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Half-Heusler and full-Heusler compounds were considered as independent phases with a natural composition gap. Here we report the discovery of TiRu 1+ x  Sb ( x  = 0.15 ~ 1.0) solid solution with wide homogeneity range and tunable p- to n-type semiconducting thermoelectrics, which bridges the composition gap between half- and full-Heusler phases. At the high-Ru end, strange glass-like thermal transport behavior with unusually low lattice thermal conductivity (~1.65 Wm −1 K −1  at 340 K) is observed for TiRu 1.8 Sb, being the lowest among reported half-Heusler phases. In the composition range of 0.15 &lt;  x  &lt; 0.50, TiRu 1+ x  Sb shows abnormal semiconducting behaviors because tunning Ru composition results in band structure change and carrier-type variation simultaneously, which seemingly correlates with the localized  d  electrons. This work reveals the possibility of designing fascinating half-Heusler-like materials by manipulating the tetrahedral site occupancy, and also demonstrates the potential of tuning crystal and electronic structures simultaneously to realize intriguing physical properties.

Half-Heusler-like compounds with wide continuous compositions and tunable p- to n-type semiconducting thermoelectrics