Energy spectrum of HgTe/CdTe quantum well#

Last update: 2026-04-27

Tags: status:under_development topological_insulators

Summary#

This validation shows that our software can reproduce the electronic band dispersion of HgTe, CdTe using 8-band \(\mathbf{k} \cdot \mathbf{p}\) method, matching the Figure 1. and the Figure 2. from [König2008]. Simulations are defined based on the input files from CdxHg1-xTe: topologically nontrivial material and HgTe/CdxHg1-xTe: topologically nontrivial simple quantum well.

Files#

Files available within premium support:

  • Koenig_2008_bulk_CdHgTe_1d.nnp - bulk band dispersions, Fig. 1 in [König2008]

  • Koenig_2008_quantum_well_CdHgTe_1d.nnp - dependency of energy spectra on thickness, Fig. 2 in [König2008]

  • Koenig_2008_database.nnp - the custom material database

  • Koenig_2008.md - a file describing parametrization details

  • Koenig_2008_script_*.py - Python scripts facilitating comparison with the reference data

  • *.dat - files containing digitalized data from [König2008]

Results#

We obtained excellent agreement when reproducing Figure 1. of [König2008].

../../_images/band-dispersions.png

Figure 535 Electronic band structures of bulk (a) CdTe and (b) HgTe.#

Thh Figure 2. of [König2008] is reproduced satisfactorily. Deviations can be attributed to some unknown material parameters used in the publication and differences in the formulation of the quantized Hamiltonian.

../../_images/energy_spectrum.png

Figure 536 The energy of the states in the CdTe/HgTe/CdTe QW as a function of its width.#

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