An Efficient and Accurate Semiconductor Quantum Dot Model Implemented by COMSOL

We present an efficient and relatively accurate computational model for semiconductor quantum dots (QDs) using COMSOL's Mathematics Module. The approach combines a one‐band effective mass model for the conduction band with a four‐band k.p Hamiltonian for the valence band, incorporating heavy‐hole and light‐hole band mixing. Burt–Foreman operator ordering is applied to resolve differential operator ambiguities, and ellipticity conditions are enforced to eliminate spurious solutions. Unlike bulk material parameters, which often violate ellipticity, we identify an adjustable parameter space for the Luttinger parameter to ensure numerical stability and physical validity. The model supports arbitrary QD geometries and material compositions, demonstrated through simulations of InAs/GaAs pyramidal QDs. Results satisfy symmetry‐based predictions or requirements, confirming the energy‐level degeneracy and wavefunction profiles. Implemented on a widely available computer‐aided engineering platform, this method offers accessibility and flexibility for researchers and engineers, providing a practical tool for QD design and a benchmark for more complex models.

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Publication Details

Journal
physica status solidi (a)
Published
2026-03-24
DOI
https://doi.org/10.1002/pssa.202501005
Primary Topic
Semiconductor Quantum Structures and Devices
Type
article
Field-Weighted Citation Impact
0.00
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article

An Efficient and Accurate Semiconductor Quantum Dot Model Implemented by COMSOL

physica status solidi (a)
Semiconductor Quantum Structures and Devices
article

An Efficient and Accurate Semiconductor Quantum Dot Model Implemented by COMSOL

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Abstract

We present an efficient and relatively accurate computational model for semiconductor quantum dots (QDs) using COMSOL's Mathematics Module. The approach combines a one‐band effective mass model for the conduction band with a four‐band k.p Hamiltonian for the valence band, incorporating heavy‐hole and light‐hole band mixing. Burt–Foreman operator ordering is applied to resolve differential operator ambiguities, and ellipticity conditions are enforced to eliminate spurious solutions. Unlike bulk material parameters, which often violate ellipticity, we identify an adjustable parameter space for the Luttinger parameter to ensure numerical stability and physical validity. The model supports arbitrary QD geometries and material compositions, demonstrated through simulations of InAs/GaAs pyramidal QDs. Results satisfy symmetry‐based predictions or requirements, confirming the energy‐level degeneracy and wavefunction profiles. Implemented on a widely available computer‐aided engineering platform, this method offers accessibility and flexibility for researchers and engineers, providing a practical tool for QD design and a benchmark for more complex models.

physica status solidi (a)Vol. 223(7)
University of Wisconsin–Platteville (US)
Affordable and clean energy
Openalex Percentile: Top 9%
Semiconductor Quantum Structures and Devices
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