ConventionalCellGraphene

class sknano.core.structures.ConventionalCellGraphene(l1=None, l2=None, n1=None, n2=None, **kwargs)

Bases: sknano.core.structures.GrapheneBase

Graphene structure class built from a conventional unit cell.

New in version 0.3.11.

Parameters:

• armchair_edge_length (float, optional) –

  Length of armchair edge in Angstroms

  Changed in version 0.4.0: Changed units from nanometers to Angstroms

• zigzag_edge_length (float, optional) –

  Length of zigzag edge in Angstroms

  Changed in version 0.4.0: Changed units from nanometers to Angstroms

• basis ({list}, optional) – List of strs of element symbols or atomic number of the two atom basis (default: [‘C’, ‘C’])
• bond (float, optional) – \(\mathrm{a}_{\mathrm{CC}} =\) distance between nearest neighbor atoms. Must be in units of Angstroms.
• nlayers (int, optional) – Number of graphene layers (default: 1)
• layer_spacing (float, optional) – Distance between layers in Angstroms (default: 3.4).
• stacking_order ({'AA', 'AB'}, optional) – Stacking order of graphene layers.
• layer_rotation_angles (list, optional) – list of rotation angles for each layer in degrees if degrees is True (default), otherwise in radians. The list length must equal the number of layers.
• layer_rotation_increment (float, optional) – incremental layer rotation angle in degrees if degrees is True (default), otherwise in radians. Each subsequent layer will be rotated by layer_rotation_increment relative to the layer below it.
• verbose (bool, optional) – verbose output

Attributes

N	Number of graphene unit cells.
Natoms	Total number of atoms.
Natoms_per_layer	Number of atoms per layer.
Natoms_per_unit_cell	Number of atoms per unit cell.
area	Total area of graphene supercell.
atoms	Structure Atoms.
basis	NanoStructureBase basis objects.
crystal_cell	Structure CrystalCell.
element1	Basis element 1
element2	Basis element 2
fmtstr	Format string.
lattice	Structure Crystal3DLattice.
lattice_shift	Lattice displacement vector.
n1	Number of unit cells along Crystal3DLattice.a1.
n2	Number of unit cells along Crystal3DLattice.a2.
r1	Vector GrapheneMixin.n1 \(\times\) Crystal3DLattice.a1.
r2	Vector GrapheneMixin.n2 \(\times\) Crystal3DLattice.a2.
scaling_matrix	CrystalCell.scaling_matrix.
structure	An alias to self.
unit_cell	Structure UnitCell.
vdw_distance	Van der Waals distance.
vdw_radius	Van der Waals radius

Methods

clear()	Clear list of StructureMixin.atoms.
make_supercell(scaling_matrix[, wrap_coords])	Make supercell.
rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
todict()	Return dict of constructor parameters.
transform_lattice(scaling_matrix[, ...])	Transform structure lattice.
translate(t[, fix_anchor_points])	Translate crystal cell lattice, basis, and unit cell.

Methods Summary

todict()

Return dict of constructor parameters.

Methods Documentation

todict()

Return dict of constructor parameters.