The specific systems I compute — where the methods meet a real lattice. Each note ties back to the physics and method notes it relies on, so this area is the cross-link hub in the graph.
- WSe₂ heterostructure
L2🌱 — vdW stack, phonon campaign, the W-basis lesson - CrI₃ and CrSBr
L2🌱 — 2D FM vs. A-type AFM; a DFT-failure target - Flat-band & Kekulé models
L3🌱 — α–T₃, flat-band self-interaction error
Perovskites
- Perovskite structure (ABX₃)
L1🌳 — the corner-sharing octahedral aristotype, tolerance factor, Glazer tilts & soft-mode transitions - Perovskite variants — double & antiperovskites
L2🌿 — rock-salt order & site inversion; Sr₂FeMoO₆, Mn₃GaN, Li₃OCl