DFT+DMFT and new X-ray data on Nb3Cl8 indicate its magnetostructural transition is driven by interlayer dimerization into weakly coupled Hubbard dimers, ruling out charge disproportionation and explaining a secondary scissoring distortion.
The Magnetic Structure and Electronic Ground States of Mott Insulators GeV 4 S 8 and GaV 4 S 8
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Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb$_3$Cl$_8$
DFT+DMFT and new X-ray data on Nb3Cl8 indicate its magnetostructural transition is driven by interlayer dimerization into weakly coupled Hubbard dimers, ruling out charge disproportionation and explaining a secondary scissoring distortion.