sisl.physics.WideBandSE

class sisl.physics.WideBandSE(spgeom, eta)

Bases: SelfEnergy

Self-energy object with a wide-band electronic structure

Such a self-energy only have imaginary components on the diagonal, with all of them being equal to the eta value.

Parameters

spgeom (SparseGeometry or int) – for a SparseGeometry only the length will be queried.
eta (float) – the imaginary part of the self-energy

Methods

`scattering_matrix`([E])	Calculate the scattering matrix by first calculating the self-energy
`se2scat`(SE)	Calculate the scattering matrix from the self-energy
`self_energy`(args, *kwargs)	Return a dense matrix with the self-energy

__init__(spgeom, eta)[source]: Self-energy class for constructing a self-energy.

scattering_matrix(E=0.0, *args, **kwargs)[source]

Calculate the scattering matrix by first calculating the self-energy

Any arguments that is passed to this method is directly passed to self_energy.

See self_energy for details.

This corresponds to:

\[\boldsymbol\Gamma = i(\boldsymbol\Sigma - \boldsymbol \Sigma ^\dagger)\]

Examples

Calculating both the self-energy and the scattering matrix.

>>> SE = SelfEnergy(...)
>>> self_energy = SE.self_energy(0.1)
>>> gamma = SE.scattering_matrix(0.1)

For a huge performance boost, please do:

>>> SE = SelfEnergy(...)
>>> self_energy = SE.self_energy(0.1)
>>> gamma = SE.se2scat(self_energy)

Notes

When using both the self-energy and the scattering matrix please use se2scat after having calculated the self-energy, this will be much, MUCH faster!