sisl.quantity.self_energy module¶
Self-energy class for calculating self-energies.
-
class
sisl.quantity.self_energy.
SelfEnergy
(*args, **kwargs)[source]¶ Bases:
object
Self-energy object able to calculate the dense self-energy for a given Hamiltonian.
The self-energy object contains a
Hamiltonian
object which, in it-self contains the geometry.This is the base class for self-energies.
Methods
__call__
(*args, **kwargs)Return the calculated self-energy Self-energy class for constructing a self-energy.
Methods
__call__
(*args, **kwargs)Return the calculated self-energy
-
class
sisl.quantity.self_energy.
SemiInfinite
(hamiltonian, infinite, eta=1e-06, bloch=None)[source]¶ Bases:
sisl.quantity.self_energy.SelfEnergy
Self-energy object able to calculate the dense self-energy for a given Hamiltonian in a semi-infinite chain.
The self-energy object contains a
Hamiltonian
object which, in it-self contains the geometry.Methods
__call__
(E[, k, eta])Return a dense matrix with the self-energy at energy E
and k-pointk
(default Gamma).Create a SelfEnergy object from a Hamiltonian.
This enables the calculation of the self-energy for a semi-infinite chain.
Parameters: hamiltonian :
Hamiltonian
the Hamiltonian of the semi-infinite chain
infinite :
str
axis specification for the semi-infinite direction (
+A
/-A
/+B
/-B
/+C
/-C
)eta :
float=1e-6
the imaginary part of the self-energy calculation
bloch :
array_like=[1,1,1]
Bloch-expansion for each of the lattice vectors (
1
for no expansion) The resulting self-energy will have dimension equal tohamiltonian.no * np.product(bloch)
.Methods
__call__
(E[, k, eta])Return a dense matrix with the self-energy at energy E
and k-pointk
(default Gamma).