bilayers Namespace Reference

Data Structures
class	Bilayer2D

Functions
	heterodeform_bilayer (Bilayer2D bilayer, F_bottom=None, F_top=None, new_name=None)
Bilayer2D	make_ab_graphene_bilayer (interlayer_spacing)
Bilayer2D	make_aa_prime_mos2_bilayer (interlayer_spacing)

Function Documentation

heterodeform_bilayer()

bilayers.heterodeform_bilayer	(	Bilayer2D	bilayer,
			F_bottom = None,
			F_top = None,
			new_name = None
	)

Apply in-plane deformation gradients to the two layers of a bilayer.

Default behavior: no deformation unless provided explicitly.

Parameters
----------
bilayer : Bilayer2D
    Input bilayer.
F_bottom : np.ndarray or None
    Deformation gradient for the bottom layer.
F_top : np.ndarray or None
    Deformation gradient for the top layer.
new_name : str or None
    Optional name for the deformed bilayer.

Returns
-------
Bilayer2D
    New bilayer with deformed layers. Its bicrystal is constructed once
    during Bilayer2D initialization.

Definition at line 109 of file bilayers.py.

make_aa_prime_mos2_bilayer()

Bilayer2D bilayers.make_aa_prime_mos2_bilayer

(

interlayer_spacing

)

AA'-stacked bilayer MoS2 reference configuration.

Top layer basis:
    s1 = (0, 0, 0)
    s2 = (0, 0, 1)
    s3 = (1/3, 2/3, 1/2)

Bottom layer basis:
    t1 = (1/3, 2/3, 0)
    t2 = (1/3, 2/3, 1)
    t3 = (0, 0, 1/2)

Definition at line 188 of file bilayers.py.

make_ab_graphene_bilayer()

Bilayer2D bilayers.make_ab_graphene_bilayer

(

interlayer_spacing

)

AB-stacked bilayer graphene reference configuration.

Top layer basis:
    s1 = (0, 0)
    s2 = (1/3, 2/3)

Bottom layer basis:
    t1 = (0, 0)
    t2 = (2/3, 1/3)

Definition at line 152 of file bilayers.py.