Crystal, electronic structure and electronic transport properties of the Ti1−xVxNiSn (х=0–0.10) solid solutions

The n-TiNiSn ternary intermetallic semiconductor is doped by the V donor impurity and the crystalline structure of the obtained Ti1−xVxNiSn solid solutions (х=0–0.10) is determined by X-ray diffraction. Temperature and concentration dependences of the resistivity and thermopower are investigated in 80–380 K range. As main results, the TiNiSn conductivity type is revealed insensitive to V doping and the thermopower factor substantially increases versus V content. First principle calculations based on DFT using FPLO and KKR–CPA methods are performed as well. Experimental data and electronic structure calculations are compared and discussed in terms of thermopower improvements.