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Doping stability of nonphotorefractive ions in stoichiometric and congruent LiNbO3

The doping stability of various nonphotorefractive ions including Mg, Zn, In, Sc, Sn, Hf, and Zr in stoichiometric, congruent, and Fe-doped LiNbO3 has been investigated by hybrid density functional theory. It is found to be energetically prefer for all the dopants to incorporate into Li sites of all the cons

Authors:   Lili Li; Yanlu Li; Xian Zhao
Journal:   Physical Chemistry Chemical Physics
Volume:   20
edition:   25
Pages:   17477
DOI:   10.1039/C8CP00694F
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