Colossal Density-Driven Resistance Response in the Negative Charge Transfer Insulator MnS2

A reversible density driven insulator to metal to insulator transition in high-spin MnS 2 is experimentally observed, leading with a colossal electrical resistance drop of 10 8 Ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccup...

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Veröffentlicht in:Physical review letters 2021-07, Vol.127 (1), p.1
Hauptverfasser: Durkee, Dylan, Dasenbrock-Gammon, Nathan, Smith, G Alexander, Snider, Elliot, Smith, Dean, Childs, Christian, Kimber, Simon A J, Lawler, Keith V, Dias, Ranga P, Salamat, Ashkan
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container_title Physical review letters
container_volume 127
creator Durkee, Dylan
Dasenbrock-Gammon, Nathan
Smith, G Alexander
Snider, Elliot
Smith, Dean
Childs, Christian
Kimber, Simon A J
Lawler, Keith V
Dias, Ranga P
Salamat, Ashkan
description A reversible density driven insulator to metal to insulator transition in high-spin MnS 2 is experimentally observed, leading with a colossal electrical resistance drop of 10 8 Ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied S2−2 σ∗3p 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.
doi_str_mv 10.1103/PhysRevLett.127.016401
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source American Physical Society Journals; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals
subjects 70 PLASMA PHYSICS AND FUSION TECHNOLOGY
Arsenopyrite
ATOMIC AND MOLECULAR PHYSICS
Charge transfer
Density functional theory
electrical conductivity
Electron states
electronic structure
Insulators
Metallicity
Metallizing
phase diagrams
title Colossal Density-Driven Resistance Response in the Negative Charge Transfer Insulator MnS2
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