Understanding thermoelectric properties in NbCoM0.05Sn (M = Fe, Co, Ni, Cu) half-Heusler compounds by neutron diffraction
Intrinsic interstitial defects are thermodynamically favorable in high-temperature synthesized half-Heusler compounds and manipulate the thermoelectric properties (improving electrical conductivity ¿ & reducing lattice thermal conductivity). They provide a new pathway to boost thermoelectric performance. Here, NbCoSn & NbCoM0.05Sn (M = Fe, Co, Ni, Cu) were synthesized to study the effect of different excessive metals on crystal structure, thermoelectric properties, and to probe correlation between them. The temperature dependence of ¿ in NbCoFe0.05Sn & NbCoCu0.05Sn behave similarly to NbCoSn (semiconductor behavior). In contrast, the electrical transport behavior of NbCo1.05Sn & NbCoNi0.05Sn becomes metallic and increase compared to NbCoSn. Our previous studies show that interstitial defects can modify the electronic band structure in different ways and thus transport behavior. To bridge the correlation between interstitial defects and electrical properties of NbCoM0.05Sn, the site occupation factors of interstitial defects need to be investigated. Since Fe, Co, Ni, Cu have similar atomic form factors, neutron diffraction is highly needed to distinguish them on the 4c and 4d site.
The data is currently only available to download if you are a member of the proposal team.
The recommended format for citing this dataset in a research publication is in the following format:
WIDENMEYER Marc; BARROSO Margarida; RASHID Aasir; RITTER Clemens; SUARD Emmanuelle; WEIDENKAFF Anke; XIE Wenjie and YAN Ruijuan. (2023). Understanding thermoelectric properties in NbCoM0.05Sn (M = Fe, Co, Ni, Cu) half-Heusler compounds by neutron diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-23-786
This data is not yet public
This data is not yet public
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.