No Difference In Local Structure About A Zn Dopant For Congruent And Stoichiometric Linbo3

We compare extended x-ray absorption fine structure (EXAFS) data at the Zn K edge for a low concentration of Zn (0.7 mol%) in a stoichiometric crystal with that for higher Zn concentrations (nominally 5 and 9 mol%) in congruent LiNbO3 (LNO). Note that stoichiometric and congruent LNO have significantly different optical properties. We find no significant difference in the local structure about Zn out to 4 angstrom for the two types of crystals and different dopant levels. Although some earlier theoretical models suggest a self-compensation model with 75% of Zn on a Li site and 25% Zn on Nb, we find no clear evidence for a significant fraction of Zn on the Nb site, and estimate at most 2%-3% of Zn might be Zn-Nb.