Parameter Sources

Overview

Parameters are retrieved using the three-axis dispatch: Model × Source × Material.

p = get_params(SP3Sstar, Vogl1983(), "GaAs")

Available Sources

Vogl 1983

Covers SP3 and SP3S* models for a wide range of III-V and group-IV semiconductors.

Jancu 1998

Provides SP3D5S* parameters fitted to reproduce full-zone band structures.

Klimeck 2000

Genetically-optimized SP3S*+SO parameters for accurate band edge properties.

Parameter Types

• SP3Params: NamedTuple with 12 parameters (on-site energies and hopping integrals for sp3 basis)
• SP3SstarParams: NamedTuple with 16 parameters (adds excited s* energies and hoppings)

SP3 parameters can be extracted from SP3S* parameters via sp3_params.

Listing Available Materials

list_materials(Vogl1983())

Convenience Instances

The singleton instances VOGL1983, JANCU1998, and KLIMECK2000 are also exported:

p = get_params(SP3Sstar, VOGL1983, "GaAs")  # equivalent