PAOFLOW.response.do_rashba_edelstein#

Attributes#

comm

rank

Functions#

do_rashba_edelstein(data_controller, ene, temperature, ...)

Compute the Rashba-Edelstein effect tensor as a function of energy.

Module Contents#

PAOFLOW.response.do_rashba_edelstein.comm[source]#
PAOFLOW.response.do_rashba_edelstein.rank[source]#
PAOFLOW.response.do_rashba_edelstein.do_rashba_edelstein(data_controller, ene, temperature, regularization, twoD_structure, lattice_height, structure_thickness, write_to_file)[source]#

Compute the Rashba-Edelstein effect tensor as a function of energy.

Parameters:

  • data_controller (DataController) – Object providing data_arrays and data_attributes. Required arrays: v_k (shape (nkpnts, nawf, nawf, nspin)), pksp (shape (nkpnts, 3, nawf, nawf, nspin)), deltakp (adaptive smearing widths), E_k, sktxt (spin texture), ind_plot. Required attributes: smearing, opath.

  • ene (np.ndarray, shape (ne,)) – Energy grid (eV) at which the tensors are evaluated.

  • temperature (float) – Electronic temperature (eV). Use 0 to apply the zero-temperature (delta-function) Gaussian smearing.

  • regularization (float) – Small positive constant (SI units) added to the current denominator to avoid divergences.

  • twoD_structure (bool) – If True, the tensor is rescaled by lattice_height / structure_thickness to convert from 3-D to 2-D units.

  • lattice_height (float) – Out-of-plane lattice constant used for 2-D rescaling.

  • structure_thickness (float) – Physical thickness of the 2-D slab used for 2-D rescaling.

  • write_to_file (bool) – If True, write kai.dat, current.dat, and Ekai_{si}{sj}.dat files to opath.

Returns:

All output is written to disk when write_to_file is True.

Return type:

None

Notes

The Rashba-Edelstein (inverse spin galvanic) tensor component \(\chi_{ij}\) and the longitudinal current tensor \(j_{ii}\) are computed via a Boltzmann-like sum over k-points and bands within the energy window set by ind_plot. The effective field response is

\[E^{\rm kai}_{ij}(\varepsilon) = -\frac{\hbar\,\chi_{ij}(\varepsilon)} {j_{jj}(\varepsilon)\, e a_0}\]

Smearing is applied through either the zero-temperature Gaussian or the finite-temperature derivative of the Fermi-Dirac function \(-\partial f / \partial E\).