sisl.physics.SemiInfinite
- class sisl.physics.SemiInfinite(spgeom, infinite, eta=0.0001)
Bases:
SelfEnergy
Self-energy object able to calculate the dense self-energy for a given SparseGeometry in a semi-infinite chain.
- Parameters
Methods
scattering_matrix
(*args, **kwargs)Calculate the scattering matrix by first calculating the self-energy
se2scat
(SE)Calculate the scattering matrix from the self-energy
self_energy
(*args, **kwargs)- __init__(spgeom, infinite, eta=0.0001)[source]
Create a
SelfEnergy
object from any SparseGeometry
- scattering_matrix(*args, **kwargs)
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!See also
se2scat
converting the self-energy to the scattering matrix
self_energy
the used routine to calculate the self-energy before calculating the scattering matrix
- static se2scat(SE)
Calculate the scattering matrix from the self-energy
\[\boldsymbol\Gamma = i(\boldsymbol\Sigma - \boldsymbol \Sigma ^\dagger)\]- Parameters
SE (matrix) – self-energy matrix
- self_energy(*args, **kwargs)