Disorder in 2 dimensional structure

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear Alex,

Could atat be used in 2D structure, such as graphene, or interface between metallic electrode and the center region in a transport model? Usually, the atomic disorders of several layers near the interface play a key role in the device performance.

Thank you very much!

Best Regards,

Yong-Hong Zhao

2

Yes. Simply use the -2d option in maps or mmaps. Make sure your c axis is long enough to avoid interactions between images along c axis .

3

Dear Alex,

Thank you for your kindly reply.

Best,

Yong-Hong