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Lithium niobate, LiNbO3, is an important technological material with goodelectro-optic, acousto-optic, elasto-optic, piezoelectric and nonlinearproperties. Doping LiNbO3 with hafnium, Hf has been shown to improve theresistance of the material to optical damage. Computer modelling provides auseful means of determining the properties of doped and undoped LiNbO3,including its defect chemistry, and the effect of doping on the structure. Inthis paper, Hf doped LiNbO3 has been modelled, and the final defectconfigurations are found to be consistent with experimental results.

Computer modelling of hafnium doping in lithium niobate