Computer modelling of hafnium doping in lithium niobate

Abstract

Lithium niobate (LiNbO3) is an important technological material with good electro-optic, acousto-optic, elasto-optic, piezoelectric and nonlinear properties. Doping LiNbO3 with hafnium (Hf) has been shown to improve the resistance of the material to optical damage. Computer modelling provides a useful means of determining the properties of doped and undoped LiNbO3, including its defect chemistry, and the effect of doping on the structure. In this paper, Hf-doped LiNbO3 has been modelled, and the final defect configurations are found to be consistent with experimental results.