Republished: Colossal density-driven resistance response in the negative charge transfer insulator MnS2

Jasmine K. Hinton; Dylan Durkee; Melanie White; Nathan Dasenbrock-Gammon; G. Alexander Smith; Elliot Snider; Dean Smith; Christian Childs; Keith V. Lawler; Ashkan Salamat

doi:10.1103/PhysRevMaterials.8.104604

Republished: Colossal density-driven resistance response in the negative charge transfer insulator MnS2

Jasmine K. Hinton, Dylan Durkee, Melanie White, Nathan Dasenbrock-Gammon, G. Alexander Smith, Elliot Snider, Dean Smith, Christian Childs, Keith V. Lawler, Ashkan Salamat

Materials Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

The Mn chalcogenides show a remarkable variation in structural and physical properties with density. In MnS2 we observe a pronounced difference with the effects of varying hydrostaticity with pressure inducing a structural transition at 300 K. Within the pyrite phase, a colossal electrical resistance drop of 108Ohms is observed by 12 GPa of nonhydrostatic compression at 300 K. DFT simulations reveal the metallization to be unexpectedly driven by previously unoccupied S22-σ3p∗ antibonding states crossing the Fermi level. This is a seldom seen variant of the charge transfer insulator to metal transition for negative charge transfer insulators which have anions with an unsaturated valence. By 36 GPa of nonhydrostatic compression, the single presence of the low-spin insulating arsenopyrite (P21/c) phase is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.

Original language	English
Article number	104604
Journal	Physical Review Materials
Volume	8
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevMaterials.8.104604
State	Published - Oct 2024

Funding

The authors acknowledge Tapan Chatterji for making this work possible. We also give our thanks to Simon A. J. Kimber for their guidance and participation throughout the life time of this work. This material is based upon work supported by the National Science Foundation Division of Materials Research under Grant No. 1904694. Computational resources provided by the UNLV National Supercomputing Institute. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA's Office of Experimental Sciences. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

Funders	Funder number
U.S. Department of Energy
Office of Science
DOE-NNSA's Office of Experimental Sciences
Division of Materials Research	1904694
Division of Materials Research
Argonne National Laboratory	DE-AC02-06CH11357
Argonne National Laboratory

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abstract = "The Mn chalcogenides show a remarkable variation in structural and physical properties with density. In MnS2 we observe a pronounced difference with the effects of varying hydrostaticity with pressure inducing a structural transition at 300 K. Within the pyrite phase, a colossal electrical resistance drop of 108Ohms is observed by 12 GPa of nonhydrostatic compression at 300 K. DFT simulations reveal the metallization to be unexpectedly driven by previously unoccupied S22-σ3p∗ antibonding states crossing the Fermi level. This is a seldom seen variant of the charge transfer insulator to metal transition for negative charge transfer insulators which have anions with an unsaturated valence. By 36 GPa of nonhydrostatic compression, the single presence of the low-spin insulating arsenopyrite (P21/c) phase is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.",

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Republished: Colossal density-driven resistance response in the negative charge transfer insulator MnS2

Abstract

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