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Crystal Structure Studies by Single-Crystal NMR Spectroscopy. 71Ga and 69Ga Single-Crystal NMR of β-Ga2O3 Twins

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  • Thomas Vosegaard
  • Inger P. Byriel, Aarhus University, Denmark
  • Laurent Binet, Laboratoire de Chimie Appliquée de lÉtat Solide, ENSCP, Paris, France
  • Dominique Massiot, Centre de Recherches sur la Physique des Hautes Températures., France
  • Hans J. Jakobsen

71Ga and 69Ga single-crystal NMR spectra of a β-Ga2O3 twin have been analyzed in terms of the 71Ga/69Ga quadrupole coupling and chemical shielding anisotropy (CSA) interactions. Analyses of the magnitudes and orientations of the interaction tensors for the two distinct crystallographic gallium sites in the two twin crystals resulted in accurate values for the parameters describing the quadrupole coupling and CSA tensors. Moreover, it has been possible to determine the actual twin-law of our sample crystal. Along with a recent 71Ga single-crystal NMR investigation of YGG, this work shows that gallium CSA generally has to be taken into account in addition to the dominant quadrupole coupling interaction.

Original languageEnglish
JournalJournal of the American Chemical Society
Pages (from-to)8184-8188
Number of pages5
Publication statusPublished - 1998

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