93Nb NMR investigation and computer simulation of the Mg ion localization in LiNbO3

The angular dependences of the linewidth of the
⁹³
Nb NMR spectrum central transition is experimentally investigated for the LiNbO
3
crystal with congruent composition and for the samples with two various Mg concentrations. Due to the computer simulation of the NMR spectra according some scenario of Mg incorporation in the LNbO
3
structure, it has been concluded that the defect complexes (Mg
Li
2+ + V
L
) with the Li vacancies are realized when the Mg concentration is less then threshold.