liu.seSök publikationer i DiVA
Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Pressure-Induced Site-Selective Mott Insulator-Metal Transition in Fe2O3
Tel Aviv Univ, Israel; Univ Chicago, IL 60637 USA.
Inst Met Phys, Russia; NUST MISIS, Russia.
Tel Aviv Univ, Israel.
PETRA III, Germany.
Visa övriga samt affilieringar
2018 (Engelska)Ingår i: Physical Review X, ISSN 2160-3308, E-ISSN 2160-3308, Vol. 8, nr 3, artikel-id 031059Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

We provide experimental and theoretical evidence for a pressure-induced Mott insulator-metal transition in Fe2O3 characterized by site-selective delocalization of the electrons. Density functional plus dynamical mean field theory (DFT + DMFT) calculations, along with Mossbauer spectroscopy, x-ray diffraction, and electrical transport measurements on Fe2O3 up to 100 GPa, reveal this site-selective Mott transition between 50 and 68 GPa, such that the metallization can be described by ((FE3+HS)-F-VI)(2)O-3 [R (3) over barc structure]-amp;gt;(50) (GPa) (Fe-VIII(3+HS) Fe-VI(M))O-3 [P2(1)/n structure]-amp;gt;(68 Gpa)(Fe-VI(M))(2)O-3[Aba2/PPv structure]. Within the P2(1)/n crystal structure, characterized by two distinct coordination sites (VI and VIII), we observe equal abundances of ferric ions (Fe3+) and ions having delocalized electrons (Fe-M), and only at higher pressures is a fully metallic high-pressure structure obtained, all at room temperature. Thereby, the transition is characterized by delocalization/metallization of the 3d electrons on half the Fe sites, with a site-dependent collapse of local moments. Above approximately 50 GPa, Fe2O3 is a strongly correlated metal with reduced electron mobility (large band renormalizations) of m*/m similar to 4 and 6 near the Fermi level. Importantly, upon decompression, we observe a site-selective (metallic) to conventional Mott insulator phase transition (Fe-VIII(3+HS) Fe-VI(M))O-3 -amp;gt;(50) (GPa)(Fe-VIII(3+HS) Fe-VI(3+HS))O-3 within the same P2(1)/n structure, indicating a decoupling of the electronic and lattice degrees of freedom. Our results offer a model for understanding insulator-metal transitions in correlated electron materials, showing that the interplay of electronic correlations and crystal structure may result in rather complex behavior of the electronic and magnetic states of such compounds.

Ort, förlag, år, upplaga, sidor
AMER PHYSICAL SOC , 2018. Vol. 8, nr 3, artikel-id 031059
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
URN: urn:nbn:se:liu:diva-151474DOI: 10.1103/PhysRevX.8.031059ISI: 000444211800001OAI: oai:DiVA.org:liu-151474DiVA, id: diva2:1250676
Anmärkning

Funding Agencies|Israeli Science Foundation [1189/14]; U.S. Department of Energy; Swedish Research Council (VR) [2015-04391]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFOMatLiU) [2009 00971]; Swedish e-Science Research Centre (SeRC); Deutsche Forschungsgemeinschaft through Transregio [TRR 80]; Russian Science Foundation [18-12-00492]; Ministry of Education and Science of the Russian Federation [K3-2016-027]

Tillgänglig från: 2018-09-24 Skapad: 2018-09-24 Senast uppdaterad: 2018-10-19

Open Access i DiVA

fulltext(1557 kB)123 nedladdningar
Filinformation
Filnamn FULLTEXT01.pdfFilstorlek 1557 kBChecksumma SHA-512
e82cb9a42224cb293858b6c2e2c8da4f4fc120f2df56646d82476807f8993d2d02851f96a31d0805638b462fd6817e49d6c81ad6efee23d9dce82dc6bb4c4050
Typ fulltextMimetyp application/pdf

Övriga länkar

Förlagets fulltext

Sök vidare i DiVA

Av författaren/redaktören
Abrikosov, Igor
Av organisationen
Teoretisk FysikTekniska fakulteten
I samma tidskrift
Physical Review X
Den kondenserade materiens fysik

Sök vidare utanför DiVA

GoogleGoogle Scholar
Totalt: 123 nedladdningar
Antalet nedladdningar är summan av nedladdningar för alla fulltexter. Det kan inkludera t.ex tidigare versioner som nu inte längre är tillgängliga.

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 69 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf