Calculating drift and diffusion of oxygen vacancies


I am thinking to perform device simulations to model the drift and diffusion of oxygen vacancies, similar to what has been done in the attached paper. You can see what exactly has been calculated from page 5 of the supplementary information (first attached file). Could you advise if it would be possible to do this calculation using Device module of Lumerical?

Thank you.


Hi @sokhoyan , It’s good to see you in KX! Unfortunately the mechanism you are talking about here cannot be modeled in DEVICE. The CHARGE solver is designed in a way that it assumes the insulators (oxides) to be ideal insulators and does not model any transport inside them. Even if we model the oxide as a large bandgap semiconductor, there is no existing mode that can account for the presence of oxygen vacancies and their contribution to current flow.