Graphene

elphmod.models.graphene.coulomb_interaction(q1=0, q2=0, q3=0)

Calculate Coulomb interaction of Phys. Rev. Lett. 106, 236805 (2011).

elphmod.models.graphene.coupling(q1=0, q2=0, q3=0, k1=0, k2=0, k3=0, **ignore)

Calculate el.-ph. coupling as in Sec. S9 of PRB 105, L241109 (2022).

elphmod.models.graphene.create(prefix=None, rydberg=False, divide_mass=True)

Create tight-binding, mass-spring, and coupling data files for graphene.

Parameters:

prefixstr, optional

Common prefix or seedname of data files. If absent, no data is written.

rydbergbool, default False

Store tight-binding model in Ry rather than eV?

divide_massbool, default True

Divide force constants and electron-phonon coupling by atomic masses and their square root, respectively?

Returns:

object

Tight-binding model.

object

Mass-spring model.

object

Localized electron-phonon coupling.

object

Localized electron-electron interaction.

elphmod.models.graphene.dynamical_matrix(q1=0, q2=0, q3=0)

Calculate phonons shown in Fig. 2.9 of doi:10.26092/elib/250.

elphmod.models.graphene.hamiltonian(k1=0, k2=0, k3=0)

Calculate electrons of, e.g., Phys. Rev. B 90, 085422 (2014).