Journal
MATERIALS TODAY PHYSICS
Volume 38, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.mtphys.2023.101267
Keywords
Nb 3 Cl 8; High pressure; Topological flat bands; Mott insulator
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We successfully achieved the pressure-induced metallization of van der Waals cluster Mott insulator Nb3Cl8 through high-pressure measurements and calculations, and revealed the band-structure reconstruction and structural phase transition.
We report on the pressure-induced metallization of a van der Waals cluster Mott insulator Nb3Cl8 by employing the resistivity measurements under high pressure. Upon compression, its resistance and energy gap are sup-pressed gradually with exhibiting the fully metallic state at a critical pressure of Pc approximate to 70 GPa. Hall resistance measurements revealed a significant band-structure reconstruction around Pc, where the dominant charge carriers are altered from hole-to electron-type and the carrier concentration experiences a sharp increase in the metallic state. In addition, high-pressure synchrotron XRD measurements uncover a possible structural phase transition around Pc. Our further first-principles calculations reproduced the pressure-driven structure transition and the corresponding metallic state above Pc. The present study demonstrates a feasible high-pressure route to realize the metallization of cluster Mott insulator Nb3Cl8.
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