Native defects and impurity band behavior in half-Heusler thermoelectric NbFeSb. Issue 34 (15th August 2018)

• Record Type: Journal Article
• Authors: Tian, Yefan; Zhu, Hangtian; Ren, Wuyang; Ghassemi, Nader; Conant, Emily; Wang, Zhiming; Ren, Zhifeng; Ross, Joseph H.
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 34(2018)
• Page Start: 21960
• Page End: 21967
• Publication Date: 2018-08-15
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c8cp04287j
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Native defects are identified that dominate the electronic behavior and generate impurity-band states in the promising thermoelectric NbFeSb. Abstract : To investigate the electronic behavior and magnetic properties of NbFeSb, we have performed 93 Nb NMR, specific heat and magnetic measurements on NbFeSb samples heat treated at high temperatures. Magnetic measurements combined with an observed Schottky anomaly and changes in the NMR line width indicate the presence of a 0.2% concentrated native magnetic defect in stoichiometric NbFeSb samples. The origin of these native defects is believed to be due to Fe antisites on Nb sites. In addition, NMR shift and spin–lattice relaxation results below 200 K reveal a Korringa-like response indicating heavily-doped p-type behavior due to native defects. Above 280 K, this converts to an activated behavior, indicating the presence of an impurity band, empty at low temperatures, which is located around 0.03 eV above the valence band maximum.