Cerium oxyde meam parameters

Hello

i am training to make a cerium oxide (IV) layer, and i am thinking to use MEAM potential for describe the interactions in cerium oxide, but i don’t find the meam parameters for the cerium oxide or for the cerium or for the oxygen. So i want to know if i have to change the potential or where i can get the meam parameters for the cerium oxide.

thanks

Rosa Osorio

Hello

i am training to make a cerium oxide (IV) layer, and i am thinking to use MEAM potential for describe the interactions in cerium oxide, but i don’t find the meam parameters for the cerium oxide or for the cerium or for the oxygen. So i want to know if i have to change the potential or where i can get the meam parameters for the cerium oxide.

The best way to address this issue is to do an exhaustive literature search. Short of finding suitable parameters, you may need to teach yourself to derive parameters. But it may be simpler to switch to a different family of potentials. Again, a look through what has been published is usually the most promising approach.

Axel.

The MEAM scheme is a modification of EAM, which is designed to model metallic bonding.

Ceria does not conform to this model.

It would be better to consider what others use for modelling ceria, eg