Pressure drives Y-kapellasite toward a spin-liquid phase by suppressing J' through nonlinear Cu–O–Cu angle dependence, with hydrogen geometry strongly modulating exchange couplings.
Prior calculations for this material [35] demonstrated that only the first three nearest-neighbor (NN) exchange parameters are significant, while all oth- ers are negligible
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Ab Initio Investigation of Pressure Effects in the Spin-Liquid Candidate Y-Kapellasite
Pressure drives Y-kapellasite toward a spin-liquid phase by suppressing J' through nonlinear Cu–O–Cu angle dependence, with hydrogen geometry strongly modulating exchange couplings.