Fig. 6: Structure and exchange couplings of Y3Cu9(OH)19Cl8.
From: Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite
a Crystal structure of Y-kapellasite26 (space group 148, \(R\bar{3}\)) with DFT relaxed hydrogen positions. b Exchange couplings of Y3Cu9(OH)19Cl8 as a function of interaction strength U, determined by energy mapping using GGA+U at JH = 1 eV . Solid symbols: P1 cell, 7 couplings extracted. Empty symbols: \(\sqrt{2}\times \sqrt{2}\times 1\) supercell, 24 couplings extracted. The inset shows the nearest-neighbor exchange paths of the perfect kagome lattice which differentiate into J⬡, J, and \(J^{\prime}\) in Y-kapellasite.
