Abstract
We report on the structural, chemical, electrical, and thermal properties of n-type polycrystalline NbFeSb synthesized by induction melting of the elements. Although several studies on p-type conduction of this half-Heusler composition have recently been reported, including reports of relatively high thermoelectric properties, very little has been reported on the transport properties of n-type compositions. We combine transport property investigations together with short- and long-range structural data obtained by Mössbauer spectroscopy of iron-57 and antimony-121 and by neutron total scattering, as well as first-principles calculations. In our investigation, we show that n-type conduction can occur from antiphase boundaries in this material. This work is intended to provide a greater understanding of the fundamental properties of NbFeSb as this material continues to be of interest for potential thermoelectric applications.
| Original language | English |
|---|---|
| Pages (from-to) | 1826-1833 |
| Number of pages | 8 |
| Journal | Inorganic Chemistry |
| Volume | 58 |
| Issue number | 3 |
| DOIs | |
| State | Published - Feb 4 2019 |
Funding
This work was supported by the II-VI Foundation Block-Gift Program and the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (Neutron scattering and Mössbauer spectral work by R.P.H.). H.W. and D.S.P. acknowledge the support of the assistant secretary for Energy Efficiency and Renewable Energy of the Department of Energy and the Propulsion Materials program under the Vehicle Technologies program. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725. The authors thank Dr. Jörg Neuefeind and Michelle Everett for assistance in data collection at NOMAD. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.