Generate twisted unit cell
Program in python to generate the Unit cell of any twisted structures from monolayers in a POSCAR format.
Run the program inside twisted cell.
Usage
1. Select the index n related to the angle of the rotation.
2. Modify stack=»AB» to any initial stacking. A, B or C, You can add several layers: Example ABAB
3. Select layer or layers to rotate: layer_to_rotate[2] or layer_to_rotate[3,4].
4. If you need the reciprocal lattice vectors set to True last parameter in GetTwisted()
Please cite these articles if the codes helps you. Good luck !!!
Suárez Morell, Eric, Correa, J. D., Vargas, P., Pacheco, M., Barticevic, Zdenka:
Flat bands in slightly twisted bilayer graphene: Tight-binding calculations. Physical Review B Vol. 82. Núm. 12. Pag. 121407-121410 2010. DOI: 10.1103/PhysRevB.82.12140
Suárez Morell, Eric, Vargas, P., Chico, Leonor, Brey, Luis:
Charge redistribution and interlayer coupling in twisted bilayer graphene under electric fields. Physical Review B Vol. 85 195421 (2011) DOI:10.1103/PhysRevB.84.195421
Generate twisted unit cell
Description
Program in python to generate the Unit cell of any twisted structures from monolayers in a POSCAR format.
Run the program inside twisted cell.
Usage
1. Select the index n related to the angle of the rotation.
2. Modify stack=»AB» to any initial stacking. A, B or C, You can add several layers: Example ABAB
3. Select layer or layers to rotate: layer_to_rotate[2] or layer_to_rotate[3,4].
4. If you need the reciprocal lattice vectors set to True last parameter in GetTwisted()
Please cite these articles if the codes helps you. Good luck !!!
Suárez Morell, Eric, Correa, J. D., Vargas, P., Pacheco, M., Barticevic, Zdenka:
Flat bands in slightly twisted bilayer graphene: Tight-binding calculations. Physical Review B Vol. 82. Núm. 12. Pag. 121407-121410 2010. DOI: 10.1103/PhysRevB.82.12140
Suárez Morell, Eric, Vargas, P., Chico, Leonor, Brey, Luis:
Charge redistribution and interlayer coupling in twisted bilayer graphene under electric fields. Physical Review B Vol. 85 195421 (2011) DOI:10.1103/PhysRevB.84.195421