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.
Symmetry-broken charge- ordered ground state in csv 3sb5 kagome metal
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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Iterative learning scheme for crystal structure prediction with anharmonic lattice dynamics
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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Four-layer charge density waves and chirality in CsV$_3$Sb$_5$
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.
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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.