AlScN point-defect thermodynamic model notebook [SOF-8054] - #368

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feature/SOF-8054

Commits on Sep 8, 2026

Feature: digitize and validate the AlScN defect data of Lee et al. 2024 [SOF-8054]

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43e0630

Commits on Sep 14, 2026

New defect thermodynamic notebook (after 6 uncommitted initial iterations) and some changes to the extraction notebook [SOF-8054]

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4714a82
Depth model: oxygen as a control condition, lattice-plane charge mesh, plot fixes [SOF-8054]

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9b72949

Commits on Sep 15, 2026

Drop the invented surface dH offset; source permittivity from Ambacher [SOF-8054]

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fc79031
Pass potentials and both temperatures explicitly; add linear depth axes [SOF-8054]

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72039b7
Free-surface boundary condition becomes a selector: charge or potential [SOF-8054]

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d255f03
Cation chemical potentials were missing from the formation energy [SOF-8054]

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c8f1278
Deterministic cell ids so rebuilds stop producing phantom diffs [SOF-8054]

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53d3e5b
Put the cation potentials on the AlN-ScN tieline [SOF-8054]

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