125Te NMR and Seebeck Effect in Bi2Te3 Synthesized from Stoichiometric and Te-Rich Melts

Levin, E. M.; Riedemann, T. M.; Howard, A.; Jo, N. H.; Bud’ko, S. L.; Canfield, P. C.; Lograsso, T. A.

doi:10.1021/acs.jpcc.6b06973

Title: ¹²⁵Te NMR and Seebeck Effect in Bi₂Te₃ Synthesized from Stoichiometric and Te-Rich Melts

Journal Article · Fri Oct 14 00:00:00 EDT 2016 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.6b06973· OSTI ID:1342943

Levin, E. M. ^[1]; Riedemann, T. M. ^[1]; Howard, A. ^[1]; Jo, N. H. ^[2]; Bud’ko, S. L. ^[1]; Canfield, P. C. ^[1]; Lograsso, T. A. ^[1]

Ames Lab., Ames, IA (United States). Division of Materials Sciences and Engineering
Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy

Bi₂Te₃ is a well-known thermoelectric material and, as a new form of quantum matter, a topological insulator. Variation of local chemical composition in Bi2Te3 results in formation of several types of atomic defects, including Bi and Te vacancies and Bi and Te antisite defects; these defects can strongly affect material functionality via generation of free electrons and/or holes. Nonuniform distribution of atomic defects produces electronic inhomogeneity, which can be detected by ¹²⁵Te nuclear magnetic resonance (NMR). Here we report on ¹²⁵Te NMR and Seebeck effect (heat to electrical energy conversion) for two single crystalline samples: (#1) grown from stoichiometric composition by Bridgman technique and (#2) grown out of Te-rich, high temperature flux. The Seebeck coefficients of these samples show p- and n-type conductivity, respectively, arising from different atomic defects. ¹²⁵Te NMR spectra and spin–lattice relaxation measurements demonstrate that both Bi₂Te₃ samples are electronically inhomogeneous at the atomic scale, which can be attributed to a different Te environment due to spatial variation of the Bi/Te ratio and formation of atomic defects. In conclusion, correlations between ¹²⁵Te NMR spectra, spin–lattice relaxation times, the Seebeck coefficients, carrier concentrations, and atomic defects are discussed. Our data demonstrate that ¹²⁵Te NMR is an effective probe to study antisite defects in Bi₂Te₃.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1342943

Report Number(s):: IS-J-9117

Journal Information:: Journal of Physical Chemistry. C, Vol. 120, Issue 44; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 8 works

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