Document Type

Article

Publication Date

6-3-2021

Publication Title

Physical Review Letters

Volume

127

Issue

1

First page number:

1

Last page number:

6

Abstract

A reversible density driven insulator to metal to insulator transition in high-spin MnS2 is experimentally observed, leading with a colossal electrical resistance drop of 108 ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied S22- σ3p∗ 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 (P21/c) is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.

Disciplines

Physical Chemistry | Physics

File Format

pdf

File Size

1462 KB

Language

English

Rights

IN COPYRIGHT. For more information about this rights statement, please visit http://rightsstatements.org/vocab/InC/1.0/

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