Inquiry Regarding Twister and Moiré Superlattice Construction in Twisted MoS2

[Brynn Karst]

Dear professor,

I hope this email finds you well. I have recently been reading your group’s publications and using the Twister tool to study twisted MoS2 structures. I encountered a small issue related to the construction of the moiré superlattice and would greatly appreciate your insights.

Based on the principle of moiré periodicity equivalence, the twist angles of 58.4° and 1.6° in MoS2 should result in the same moiré superlattice period due to symmetry considerations. According to the Twister tool’s documentation, structures with twist angles close to 60° typically use an AB stacking configuration before rotation.

My question concerns the construction of a structure with a 58.4° twist angle. Would it be reasonable to use the parameters specified for a 1.6° twist in the twist.inp file but set the basis_pos using the AB stacking format? I am unsure if this approach would yield equivalent results, as it seems analogous to treating a 58.4° rotation as equivalent to a 61.6° rotation. Alternatively, should I use the get_ang function to generate the angles? However, it appears challenging to ensure that each pair of angles that sum to 60° will consistently generate parameters corresponding to the same moiré superlattice period.

Thank you very much for your time, and I look forward to any guidance you can provide.

Sincerely,

Brynn

[Mit Naik]

Hi Bryan,

Twists 58.4 and 61.6 yield identical moiré patterns. So it is reasonable to start with AB and create small twists to generate moiré patterns near 60. 

Best,

Mit

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