An iterative scheme using foundation models and SSCHA enables efficient crystal structure prediction with anharmonic effects, shown to match DFT benchmarks on the H3S system from 50 to 200 GPa.
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3 Pith papers cite this work. Polarity classification is still indexing.
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UNVERDICTED 3representative citing papers
A Ginzburg-Landau stacking analysis of the 2x2x4 CDW in CsV3Sb5 identifies chiral inversion-breaking phases when layer rigidity is relaxed, yet these phases remain rare in the phase diagram.
Ti hole-doping suppresses competing 2x2x2 and 2x2x4 charge density wave supercells in the first superconducting dome of CsV3-xTixSb5 while eliminating detectable charge correlations in the second dome, leaving superconductivity conventional and distinct from Sb-site Sn doping.
citing papers explorer
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Evolution of charge correlations in the hole-doped kagome superconductor CsV$_{3-x}$Ti$_x$Sb$_5$
Ti hole-doping suppresses competing 2x2x2 and 2x2x4 charge density wave supercells in the first superconducting dome of CsV3-xTixSb5 while eliminating detectable charge correlations in the second dome, leaving superconductivity conventional and distinct from Sb-site Sn doping.