Abstract

Symmetry breaking of metal cluster-based strongly correlated systems can give rise to collective phenomena. Here, the two-dimensional Nb3 cluster compound Nb3Cl8 is shown to suffer dramatic symmetry breaking and electron disproportionation under compression. A structural phase transition from trigonal P-3m1 to monoclinic C2/m is observed near 8 GPa with the three-fold symmetry breaking. Electron disproportionation occurs on Nb3 clusters from delocalized Nb8/3+Nb8/3+Nb8/3+ to localized Nb3+Nb3+Nb2+, which results in a subtle bandgap discontinuity, as evidenced by electrical transport and UV-Vis absorption measurements.

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