Michael Schwall

Thermoelectric properties and electronic structure of substituted Heusler compounds: NiTi0.3-xScxZr0.35Hf0.35Sn

The effect of Ti substitution by Sc on the thermoelectric properties of the Heusler compounds NiTi0.3−xScxZr0.35Hf0.35Sn (where 0<x≤0.05) was studied. The thermoelectric properties were investigated by measuring the electrical conductivity, Seebeck coefficient, and thermal conductivity. A reduction of the thermal conductivity by a factor of 2 was obtained by substitution of Ti by Sc. The pure compound NiTi0.3Zr0.35Hf0.35Sn showed n-type conductivity with a Seebeck coefficient of −288 μV/K at 350 K, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 μV/K (350 K) was obtained by 4% Sc substitution, which is the highest value for p-type thermoelectric compounds based on Heusler alloys. The electronic structure was studied by photoelectron spectroscopy excited by hard x-ray synchrotron radiation. Massive in gap states are observed for the parent compound. This proves that the electronic states close to the Fermi energy play a key role on the behavior of t...

Niobium substitution in Zr0.5Hf0.5NiSn based Heusler compounds for high power factors

This work reports on the structural and physical properties of the Heusler alloy (Zr0.5Hf0.5)1−xNbxNiSn with varying Nb concentrations. The structure of the (Zr0.5Hf0.5)1−xNbxNiSn solid solution was investigated by means of X-ray diffraction. It is found that the alloys exhibit the C1b structure for all Nb concentrations. The physical properties were studied using the physical properties measurement system from low temperature to room temperature. It was shown that the thermoelectric properties like the dimensionless Figure of Merit are increased five times by substituting (Zr0.5Hf0.5) with Nb to 0.09 at 300 K and the Powerfactor is increased 10 times to 1.8 mW/K2 m at 300 K.

On the Phase Separation in n-Type Thermoelectric Half-Heusler Materials

Half-Heusler compounds have been in focus as potential materials for thermoelectric energy conversion in the mid-temperature range, e.g., as in automotive or industrial waste heat recovery, for more than ten years now. Because of their mechanical and thermal stability, these compounds are advantageous for common thermoelectric materials such as Bi2Te3, SiGe, clathrates or filled skutterudites. A further advantage lies in the tunability of Heusler compounds, allowing one to avoid expensive and toxic elements. Half-Heusler compounds usually exhibit a high electrical conductivity σ, resulting in high power factors. The main drawback of half-Heusler compounds is their high lattice thermal conductivity. Here, we present a detailed study of the phase separation in an n-type Heusler materials system, showing that the TixZryHfzNiSn system is not a solid solution. We also show that this phase separation is key to the thermoelectric high efficiency of n-type Heusler materials. These results strongly underline the importance of phase separation as a powerful tool for designing highly efficient materials for thermoelectric applications that fulfill the industrial demands of a thermoelectric converter.