Structural, Chemical, Electrical, and Thermal Properties of n-Type NbFeSb

Dean Hobbis, Raphael P. Hermann, Hsin Wang, David S. Parker, Tribhuwan Pandey, Joshua Martin, Katharine Page, George S. Nolas

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


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 languageEnglish
Pages (from-to)1826-1833
Number of pages8
JournalInorganic Chemistry
Issue number3
StatePublished - Feb 4 2019


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