Add effective DOS and energy band gap model #2673
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| Example | ||
| ------- | ||
| >>> # Parameters for Silicon (Si) | ||
| >>> si_model = VarshniBandGap( |
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logic: Class name in example is 'VarshniBandGap' but actual class is 'VarshniEnergyBandGap'
Suggested change
| >>> si_model = VarshniBandGap( | |
| >>> si_model = VarshniEnergyBandGap( |
| def get_effective_DOS(self, T: float): | ||
| if T <= 0: | ||
| raise DataError( | ||
| f"Incorrect temperature value ({T}) for the effectve density of states calculation." |
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syntax: Typo in error message: 'effectve' should be 'effective'
Suggested change
| f"Incorrect temperature value ({T}) for the effectve density of states calculation." | |
| f"Incorrect temperature value ({T}) for the effective density of states calculation." |
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| ..., | ||
| title="Longitudinal effective mass", | ||
| description="Effective mass of the carriers in the transverse direction", |
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syntax: Copy-paste error in title: 'Longitudinal effective mass' should be 'Transverse effective mass'
Suggested change
| ..., | |
| title="Longitudinal effective mass", | |
| description="Effective mass of the carriers in the transverse direction", | |
| ..., | |
| title="Transverse effective mass", | |
| description="Effective mass of the carriers in the transverse direction", |
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| class DualValleyEffectiveDOS(EffectiveDOS): | ||
| """Effective density of states model that assumes combibation of light holes and heavy holes with isotropic effective masses. |
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syntax: Typo in docstring: 'combibation' should be 'combination'
Suggested change
| """Effective density of states model that assumes combibation of light holes and heavy holes with isotropic effective masses. | |
| """Effective density of states model that assumes combination of light holes and heavy holes with isotropic effective masses. |
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Refactors semiconductor material modeling by introducing modular DOS and band gap models, replacing hardcoded values with configurable model classes.
tidy3d/__init__.pyincludingConstantEffectiveDOS,IsotropicEffectiveDOS,MultiValleyEffectiveDOS, and various energy band gap modelsSemiconductorMediumincomponents/material/tcad/charge.pyto use model-based implementations forN_c,N_v, andE_gparameterscSimaterial properties inmaterial_library/material_library.pyto use new model classes while preserving existing valuestest_heat_charge.pyto use the new model classes instead of hardcoded valuesGreptile Summary
This PR introduces a significant architectural improvement to the semiconductor material modeling system in Tidy3D. It replaces hardcoded material parameters with a flexible, model-based approach for calculating Density of States (DOS) and energy band gaps. The changes enable more sophisticated physics modeling while maintaining backward compatibility.
Key changes:
The change maintains existing numerical values for silicon (e.g., N_c=2.86e19, N_v=3.1e19, E_g=1.11) while providing infrastructure for more complex physics in the future. This is particularly relevant for the non-isothermal branch it's targeting, as temperature-dependent calculations will be crucial.
PR Description Notes:
Confidence score: 4 /5
7 files reviewed, 4 comments
Edit PR Review Bot Settings | Greptile