Grain boundary

[Rajib]

Dear ATK experts,

Can we model grain boundary with ATK framework?

Regards

Rajib

[Anders Blom]

Yes, most certainly. See e.g. doi:10.1002/pssb.201046133.

[Rajib]

Dear Dr Anders,

Many thanks for this information. However, reading through the paper I do not find any description on GB modelling of FCC metals.

Regards,

Rajib

[Anders Blom]

Did you get the right paper

It's called "Simulation of grain boundary effects on electronic transport in metals, and detailed causes of scattering" and they look at Ag and Cu, both fcc...