Abstract
A reversible density driven insulator to metal to insulator transition in high-spin is experimentally observed, leading with a colossal electrical resistance drop of by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied antibonding states crossing the Fermi level. This is a unique variant of the charge transfer insulator to metal transition for negative charge transfer insulators having anions with an unsaturated valence. By 36 GPa the emergence of the low-spin insulating arsenopyrite () is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.
- Received 9 February 2021
- Revised 8 April 2021
- Accepted 4 June 2021
DOI:https://doi.org/10.1103/PhysRevLett.127.016401
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