Project
IN-11
Identifying and Efficiently Computing Band-Edge Energies for
Charge Transport Simulations in Strained Materials
Project Heads
Costanza Lucia Manganelli, Christian Merdon, Patricio Farrell
Project Members
Dr. Daniel Fritsch
Project Duration
01.04.2022 – 31.03.2023
Located at
WIAS
Description
We develop a flexible Hamiltonian-based electro-mechanical model to find the conduction and three valence bands in strained materials. For this, we develop efficient eigenvalue solvers and identify the eigenvalues with band energies via analytic continuation. Finally, we combine three existing codes into one open-source solver for charge transport in strained materials.
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