SciPost Submission Page
kdotpy: k·p theory on a lattice for simulating semiconductor band structures
by Wouter Beugeling, Florian Bayer, Christian Berger, Jan Böttcher, Leonid Bovkun, Christopher Fuchs, Maximilian Hofer, Saquib Shamim, Moritz Siebert, Li-Xian Wang, Ewelina M. Hankiewicz, Tobias Kießling, Hartmut Buhmann, Laurens W. Molenkamp
Submission summary
| Authors (as registered SciPost users): | Christian Berger · Wouter Beugeling · Leonid Bovkun · Christopher Fuchs · Maximilian Hofer · Saquib Shamim · Moritz Siebert · Lixian Wang |
| Submission information | |
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| Preprint Link: | https://arxiv.org/abs/2407.12651v1 (pdf) |
| Code repository: | https://git.physik.uni-wuerzburg.de/kdotpy/kdotpy |
| Date submitted: | 2024-07-22 10:36 |
| Submitted by: | Beugeling, Wouter |
| Submitted to: | SciPost Physics Codebases |
| Ontological classification | |
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| Academic field: | Physics |
| Specialties: |
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| Approaches: | Theoretical, Computational |
Abstract
The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with k·p theory on a lattice. The application implements the widely used Kane model, capable of reliable predictions of transport and optical properties for a large variety of topological and non-topological materials with a zincblende crystal structure. The application automates the tedious steps of simulating band structures. The user inputs the relevant physical parameters on the command line, for example materials and dimensions of the device, magnetic field, and temperature. The program constructs the appropriate matrix Hamiltonian on a discretized lattice of spatial coordinates and diagonalizes it. The physical observables are extracted from the eigenvalues and eigenvectors and saved as output. The program is highly customizable with a large set of configuration options and material parameters.