sknano.structures.Graphene

class sknano.structures.Graphene(length=None, width=None, edge=None, nlayers=1, layer_spacing=3.35, layer_rotation_angles=None, stacking_order='AB', deg2rad=True, **kwargs)

Graphene structure class.

Parameters:

length : float, optional

Length of graphene sheet in nanometers

width : float, optional

Width of graphene sheet in nanometers

edge : {‘AC’, ‘armchair’, ‘ZZ’, ‘zigzag’}, optional

ArmChair or ZigZag edge along the length of the sheet.

element1, element2 : {str, int}, optional

Element symbol or atomic number of basis Atom 1 and 2

bond : float, optional

bond length between nearest-neighbor atoms in Angstroms.

nlayers : int, optional

Number of graphene layers.

layer_spacing : float, optional

Distance between layers in Angstroms.

stacking_order : {‘AA’, ‘AB’}, optional

Stacking order of graphene layers

verbose : bool, optional

verbose output

Notes

For now, the graphene structure is generated using a conventional unit cell, not the primitive unit cell.

Todo

Add notes on unit cell calculation.

Attributes

bond	Bond length in Å.
element1	Element symbol of Atom 1.
element2	Element symbol of Atom 2.