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Part 1: Document Description
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Citation |
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Title: |
JART OxRelax |
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Identification Number: |
doi:10.26165/JUELICH-DATA/VC9OCI |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2025-03-25 |
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Version: |
1 |
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Bibliographic Citation: |
Zurhelle, Alexander, 2025, "JART OxRelax", https://doi.org/10.26165/JUELICH-DATA/VC9OCI, Jülich DATA, V1 |
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Citation |
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Title: |
JART OxRelax |
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Subtitle: |
Dynamics of the spatial separation of electrons and mobile oxygen vacancies in oxide heterostructures |
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Identification Number: |
doi:10.26165/JUELICH-DATA/VC9OCI |
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Authoring Entity: |
Zurhelle, Alexander (RWTH Aachen University) |
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Software used in Production: |
COMSOL Multiphysics |
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Distributor: |
Jülich DATA |
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Access Authority: |
Menzel, Stephan |
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Depositor: |
Schön, Daniel |
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Date of Deposit: |
2025-02-12 |
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Study Scope |
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Keywords: |
Computer and Information Science, Engineering, Physics |
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Abstract: |
In the search for an oxide-based 2D electron system with a large concentration of highly mobile electrons, a promising strategy is to introduce electrons through donor doping while spatially separating electrons and donors to prevent scattering. In SrTiO3, this can be achieved by tailoring the oxygen vacancy profile through reduction, e.g., by creating an interface with an oxygen scavenging layer. Through reduction, oxygen atoms are removed close to the interface, leaving behind oxygen vacancies in the SrTiO3 lattice and mobile electrons in the SrTiO3 conduction band. The commonly assumed picture is that the oxygen vacancies then remain confined close to the interface while the electrons leak a few nanometers into the bulk, resulting in an electron-defect separation and a highly mobile, oxide-based 2D electron system. <br> <br> Here, we present a transient finite element simulation tool that describes how the concentration profiles of oxygen vacancies and electrons develop over a timescale from minutes to 10 years at temperature T. This tool considers three driving forces acting on the oxygen vacancy distribution: diffusion due to the concentration gradient, drift due to the intrinsic electric field, and an oxygen vacancy trapping energy that holds oxygen vacancies at the interface. Furthermore, this tool provides data that can be compared to conductivity measurements at a second temperature T_LT. <br> <br> This COMSOL App is available without (small – 15 MB) and with (large – 744 MB) COMSOL runtime. In the first case, the download is significantly smaller and the COMSOL runtime will be automatically installed if necessary. |
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Kind of Data: |
COMSOL Simulation App |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Notes: |
CC0 Waiver |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Identification Number: |
10.1103/PhysRevMaterials.4.104604 |
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Bibliographic Citation: |
A. F. Zurhelle, D. V. Christensen, S. Menzel, and F. Gunkel, Phys. Rev. Materials 4, 104604. |
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Label: |
JART OxRelax v1 without runtime.exe |
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Text: |
COMSOL App without COMSOL runtime. The COMSOL runtime will be automatically installed if necessary. |
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Notes: |
application/x-msdownload |
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Label: |
JART OxRelax v1 with runtime.exe |
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Text: |
COMSOL App with COMSOL runtime. The file size is significantly larger than without COMSOL runtime. |
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Notes: |
application/x-msdownload |