Fitting MAS NMR spectra in crystals with local disorder: Czjzek's vs. Maurer's model for11B and71Ga in polycrystalline gallium borate.
A comparative analysis of the Czjzek's and Maurer's models of the joint distribution density of NMR quadrupole parameters has been carried out in view of their application to account for spectra broadening induced by local disorder in crystals. As an example of such an application, we have considered Magic Angle Spinning NMR of11B and71Ga isotopes in polycrystalline gallium borate. Computer simulations carried out using both models unambiguously show that in the case of low local disorder the Maurer's model, in contrast to the Czjzek's model, provides satisfactory fits to experimental NMR spectra.
LOMA, UMR 5798 Université de Bordeaux-CNRS, 33405 Talence cedex, France; Physics and Technology Institute, Crimean Federal V.I. Vernadsky University, 295-007 Simferopol, Republic of Crimea.
K
K
Seleznyova
Institute of Physics, University of Szczecin, 15 Wielkopolska Str., 70-451 Szczecin, Poland.
N A
NA
Sergeev
Institute of Physics, University of Szczecin, 15 Wielkopolska Str., 70-451 Szczecin, Poland.
M
M
Olszewski
Institute of Physics, University of Szczecin, 15 Wielkopolska Str., 70-451 Szczecin, Poland.
P
P
Stępień
Physics and Technology Institute, Crimean Federal V.I. Vernadsky University, 295-007 Simferopol, Republic of Crimea.
S V
SV
Yagupov
Physics and Technology Institute, Crimean Federal V.I. Vernadsky University, 295-007 Simferopol, Republic of Crimea.
M B
MB
Strugatsky
LOMA, UMR 5798 Université de Bordeaux-CNRS, 33405 Talence cedex, France.
J
J
Kliava