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Importance of Correlation Effects in hcp Iron Revealed by a Pressure-Induced Electronic Topological Transition
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2013 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 110, no 11, 117206- p.Article in journal (Refereed) Published
Abstract [en]

We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio, and Mossbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.

Place, publisher, year, edition, pages
2013. Vol. 110, no 11, 117206- p.
Keyword [en]
Anomalous behavior, Correlation effect, Electronic topological transition, First-principles simulations, Lattice-parameter ratio, Mean field approach, Mossbauer, Topological changes
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-121118DOI: 10.1103/PhysRevLett.110.117206ISI: 000316172500027Scopus ID: 2-s2.0-84875009592OAI: oai:DiVA.org:kth-121118DiVA: diva2:616945
Funder
Swedish eā€Science Research CenterSwedish Research Council, 621-2011-4426Swedish Foundation for Strategic Research , 10-0026
Note

QC 20130419

Available from: 2013-04-19 Created: 2013-04-19 Last updated: 2017-12-06Bibliographically approved

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Ruban, Andrei V.
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