08 November 2019 1 8K Report

Hi,

There are many journals related to simulation that used Silicon cluster as the substrate model. I have also seen SiO2 cluster model on the research journal.

However i can't seem to find any related information about TiN cluster model. Can anyone shed some light on how to create this small TiN cluster.

Note: There are of course many TiN substrate model for molecular dynamics or AIMD simulation. But my question here is about representative TiN cluster model for ab initio simulation (just like Silicon cluster Si9H12)

Thank you.

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