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Te-125 NMR chemical-shift trends in PbTe-GeTe and PbTe-SnTe alloys

TitleTe-125 NMR chemical-shift trends in PbTe-GeTe and PbTe-SnTe alloys
Publication TypeJournal Article
Year of Publication2013
AuthorsNjegic, B, Levin, EM, Schmidt-Rohr, K
JournalSolid State Nuclear Magnetic Resonance
Date Published10
Type of ArticleArticle
ISBN Number0926-2040
Accession NumberWOS:000327132700009
Keywordsgete, glasses, local-structure, magic-angle, nuclei, Pb1-xGexTe, Pb1-xSnxTe, pbte, phase-change materials, Plane-wave DFT, shift calculation, SnTe, solid-state nmr, spectra, systems, te, Te-125 chemical, Te-125 NMR

e atoms in a cubic PbTe matrix is detected at low Ge concentrations. The observed chemical shift trends are compared with the results of DFT calculations, which confirm the linear dependence on the composition of the first-neighbor shell. The data enable determination of the composition of various phases in multiphase telluride materials. They also provide estimates of the Te-125 chemical shifts of GeTe and SnTe (+970 and + 400 +/- 150 ppm, respectively, from PbTe), which are otherwise difficult to access clue to Knight shifts of many hundreds of ppm in neat GeTe and SnTe. (C) 2013 Elsevier Inc. All rights reserved.

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