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 |
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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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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.</description><identifier>ISSN: 0031-9007</identifier><identifier>EISSN: 1079-7114</identifier><identifier>DOI: 10.1103/PhysRevLett.127.016401</identifier><language>eng</language><publisher>College Park: American Physical Society</publisher><subject>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</subject><ispartof>Physical review letters, 2021-07, Vol.127 (1), p.1</ispartof><rights>Copyright American Physical Society Jul 2, 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000000211140995 ; 0000000310875815 ; 0000000165567532 ; 000000015491747X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/1810755$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Durkee, Dylan</creatorcontrib><creatorcontrib>Dasenbrock-Gammon, Nathan</creatorcontrib><creatorcontrib>Smith, G Alexander</creatorcontrib><creatorcontrib>Snider, Elliot</creatorcontrib><creatorcontrib>Smith, Dean</creatorcontrib><creatorcontrib>Childs, Christian</creatorcontrib><creatorcontrib>Kimber, Simon A J</creatorcontrib><creatorcontrib>Lawler, Keith V</creatorcontrib><creatorcontrib>Dias, Ranga P</creatorcontrib><creatorcontrib>Salamat, Ashkan</creatorcontrib><creatorcontrib>Argonne National Lab. 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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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