shinjanm / twister Goto Github PK

TWISTER is a python package that helps you find and construct commensurate moiré superlattices on introducing a twist between 2D materials. Please see below for instructions regarding specific lattices.

TWISTER can also be used to study the structural reconstruction of moiré superlattices with classical forcefields through a LAMMPS interface. See FFRelaxation/ for examples

If you use this package please cite the following papers for which this code was developed:

"Twister: Construction and structural relaxation of commensurate moiré superlattices", arxiv

"Ultraflatbands and Shear Solitons in Moire Patterns of Twisted Bilayer Transition Metal Dichalcogenides", Phys. Rev. Lett. 121, 266401 (2018)

We also distribute registry-dependent Kolmogorov-Crespi interlayer potentials and LAMMPS input files in the KC_ilp/ folder used in the following paper: "Kolmogorov-Crespi Potential For Multilayer Transition Metal Dichalcogenides: Capturing Structural Transformations In Moiré Superlattices", J. Phys. Chem. C 2019, 123, 15, 9770–9778

For assistance with running and installation please visit our Google Group

python with Numpy, Scipy and Matplotlib

(With the same lattice parameter, eg. twisted bilayer graphene, twisted bilayer MoS2)

An analytical expression for the commensurate twist-angle is used. See examples/homobilayer_hex/

It is often difficult to obtain exact coincidence in these systems since lattice parameters of the constituent layers can be different. The commensurate twist-angles can be found using coincidence site lattice theory by allowing for a small strain in the constituent layers. See examples/heterobilayer, examples/twistedbP