device_builder.utils.sk_builder_interface

Interface to sk_builder module.

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def initialize_device_from( device: device_builder.models.devices.Device, device_params: device_builder.models.configuration.DeviceParameters, slater_koster_tuning: device_builder.models.configuration.SlaterKosterTuning, verbose: bool = True) -> sk_builder.slater_koster_model.SlaterKosterModel:

Initialize device builder with an ionic crystal.

Arguments:
  • device (IonicCrystal): Representation of the device.
  • device_params (DeviceParameters): External parameters such as E-Field, B-field and confinement potential.
  • slater_koster_tuning (SlaterKosterTuning): Tuning parameters for the Slater-Koster model.
  • verbose (bool, optional): Enable verbose output for device builder init. Defaults to True.
Returns:

SlaterKosterModel: Slater-Koster model for the given device and sample index.

Raises:
  • ValueError: If the device type is not supported.
def initialize_device_from_sample_index( device: device_builder.models.devices.ProfileAlloyConfiguration, device_params: device_builder.models.configuration.DeviceParameters, slater_koster_tuning: device_builder.models.configuration.SlaterKosterTuning, sample_index: tuple[int, int, int], verbose: bool = True) -> sk_builder.slater_koster_model.SlaterKosterModel:

Initialize device builder with random alloy sample based on sample index.

The sample index specifies the unit cell coordinates of the simulation region in the device:

  • Think of the device as a 3D grid of unit cells (specified in device.periodic_structure).
  • device.simulation_size determines the actual size of the simulation.
  • The sample index is a tuple of three integers shifting the simulation region in the device.

This enables us to shift the simulation region in "unit cell" steps through an (hypothetically) infinite 3D space.

Arguments:
  • device (ProfileAlloyConfiguration): Representation of the device.
  • device_params (DeviceParameters): External parameters such as E-Field, B-field and confinement potential.
  • slater_koster_tuning (SlaterKosterTuning): Tuning parameters for the Slater-Koster model.
  • sample_index (tuple[int, int, int]): "Unit cell coordinates" specifying the sample.
  • verbose (bool, optional): Enable verbose output for device builder init. Defaults to True.
Returns:

SlaterKosterModel: Slater-Koster model for the given device and sample index.

def initialize_device_from_distribution( device: device_builder.models.devices.ProfileAlloyConfiguration, device_params: device_builder.models.configuration.DeviceParameters, slater_koster_tuning: device_builder.models.configuration.SlaterKosterTuning, verbose: bool = True) -> sk_builder.slater_koster_model.SlaterKosterModel:

Initialize device builder based on distribution.

The resulting model for the device corresponds to the asymptotic average over samples drawn from the given distribution. Technically, the Hamiltonian is constructed by weighting the "atomic" contributions with the provided alloy distribution and "bonds" by the pair-wise probability of connected connected atoms.

Arguments:
  • device (ProfileAlloyConfiguration): Representation of the device.
  • device_params (DeviceParameters): External parameters such as E-Field, B-field and confinement potential.
  • slater_koster_tuning (SlaterKosterTuning): Tuning parameters for the Slater-Koster model.
  • verbose (bool, optional): Enable verbose output for device builder init. Defaults to True.
Returns:

SlaterKosterModel: Asymptotic averaged Slater-Koster model for the given device.