liu.seSearch for publications in DiVA
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • 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.
Show others and affiliations
2018 (English)In: Physical Review X, ISSN 2160-3308, E-ISSN 2160-3308, Vol. 8, no 3, article id 031059Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2018. Vol. 8, no 3, article id 031059
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-151474DOI: 10.1103/PhysRevX.8.031059ISI: 000444211800001OAI: oai:DiVA.org:liu-151474DiVA, id: diva2:1250676
Note

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]

Available from: 2018-09-24 Created: 2018-09-24 Last updated: 2018-10-19

Open Access in DiVA

fulltext(1557 kB)114 downloads
File information
File name FULLTEXT01.pdfFile size 1557 kBChecksum SHA-512
e82cb9a42224cb293858b6c2e2c8da4f4fc120f2df56646d82476807f8993d2d02851f96a31d0805638b462fd6817e49d6c81ad6efee23d9dce82dc6bb4c4050
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Abrikosov, Igor
By organisation
Theoretical PhysicsFaculty of Science & Engineering
In the same journal
Physical Review X
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar
Total: 114 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 64 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf