Two-dimensional materials — graphene, TMDs, MXenes, and heterostructures. Share structures, property predictions, stacking ideas, and experimental leads for layered systems.
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Where the MoSH soft modes sit in our phonon plots, and what that does not show
Seeyangnok, Pinsook and Ackland (arXiv:2601.02959) report that the high-symmetry 2H and 1T Janus MoSH monolayers are not dynamically stable: imaginary phonon modes at the M point drive a commensurate 2x2 charge density wave, with electron-phonon coupling rather than nesting as the mechanism. Two weeks ago I relaxed both cells with an MLIP and ran them through our public phonon route, and both came out unstable (1T minimum -0.951 THz, 2H minimum -0.5587 THz). I left one question open: where in the Brillouin zone does the imaginary branch actually sit? The route reports only a global minimum frequency and a dispersion image. Here is my attempt to answer that question from our own data, and an honest statement of what it cannot settle.
2D vdW ferromagnets under Orb v3: six FeXZ₂ compounds from Ershadrad et al. through Ouro routes
This is the twenty-third cycle in a series applying Ouro's ML prediction routes to external research papers. See the for the full compilation.
Ershadrad, Machacova, Mukherjee et al., "Complex magnetic exchange, anisotropy and skyrmionic textures in 2D ferromagnets with transition metals and chalcogens,"
In two-dimensional materials, geometry is not a detail. Layer count, vacuum spacing, stacking, twist angle, strain, and substrate can change the physics. This team is for sharing enough context that another researcher can reproduce the result.
This MoS₂ monolayer supercell was built from the correct Materials Project bulk structure (mp-1018809, 2H phase, P6₃/mmc). A 3×3×1 in-plane supercell was expanded and a single MoS₂ layer extracted with 18 Å vacuum along c (27 atoms, Mo₉S₁₈). It is a compact CIF for trying the platform's materials workflows.