Abstract
In this work, we present a scheme to extract electronic structure parameters for multi-band k · p models beyond the well-established eight-band approach using up-to-date ab initio band structures. Our scheme allows us to identify parameters for k · p models with Hamiltonian matrices of arbitrary complexity and level of sophistication. The computational effort of our approach is very small and increases only slightly with the number of parameters that need to be fitted. We can furthermore apply priorities to specific bands or high-symmetry points of the Brillouin zone and can incorporate routines that help to increase the numerical stability of electronic structure simulations of semiconductor nanostructures using the obtained parameter sets.
Original language | English |
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Title of host publication | Proceedings of the 18th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2018 |
Editors | Joachim Piprek, Aleksandra B. Djurisic |
Publisher | IEEE |
Pages | 55-56 |
Number of pages | 2 |
Volume | 2018-November |
ISBN (Electronic) | 9781538655993 |
DOIs | |
Publication status | Published - 7 Dec 2018 |
MoE publication type | A4 Conference publication |
Event | International Conference on Numerical Simulation of Optoelectronic Devices - Hong Kong, China Duration: 5 Nov 2018 → 9 Nov 2018 Conference number: 18 |
Publication series
Name | Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices |
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Publisher | IEEE |
ISSN (Print) | 2158-3234 |
ISSN (Electronic) | 2158-3242 |
Conference
Conference | International Conference on Numerical Simulation of Optoelectronic Devices |
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Abbreviated title | NUSOD |
Country/Territory | China |
City | Hong Kong |
Period | 05/11/2018 → 09/11/2018 |
Keywords
- computational modeling
- semiconductor nanostructures
- scattering
- crystals
- eigenvalues and eigenfunctions
- gallium arsenide
- couplings