The invention provides a TiCoSb-based semi-Heusler
single crystal thermoelectric material. The
chemical formula of the TiCoSb-based semi-Heusler
single crystal thermoelectric material is Ti < 1-x-y > M < x > R < y > CoSb, wherein the M element comprises at least one of an Nb element, a
Ta element, an Sc element and a V element, the R element comprises at least one of a
Zr element and an Hf element, x is not larger than 0.07, and y is not larger than 0.25. According to the TiCoSb-based semi-Heusler single-
crystal thermoelectric material, the preparation method and the thermoelectric device provided by the invention, the M element and the alloying R
metal element are doped at the Ti position according to the proportion, so that the performance regulation and control of the TiCoSb-based semi-Heusler single-
crystal thermoelectric material are realized; the appropriate carrier concentration required by the thermoelectric material is provided through the heterovalent
doping effect of M elements in different proportions, so that the
power factor PF of the material is improved, and the electrical property of the material is improved; according to the present invention, by introducing the isoelectron alloying effect of the R elements with different proportions, the
phonon scattering
point location is provided, the
thermal conductivity of the material is reduced, and the prepared Ti < 1-x-y > M < x > R < y > CoSb
single crystal has good thermoelectric performance.