title: Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.
abstract: We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) 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 Mössbauer 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.
authors.affiliation: Bayerisches Geoinstitut, Universität Bayreuth, 95440 Bayreuth, Germany and Yale University, New Haven, Connecticut 06511, USA.
authors.forename: K
authors.initials: K
authors.lastname: Glazyrin
authors.affiliation: Swedish e-Science Research Centre (SeRC), Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden and Centre de Physique Théorique, Ecole Polytechnique, CNRS, 91128 Palaiseau Cedex, France.
authors.forename: L V
authors.initials: LV
authors.lastname: Pourovskii
authors.affiliation: Bayerisches Geoinstitut, Universität Bayreuth, 95440 Bayreuth, Germany.
authors.forename: L
authors.initials: L
authors.lastname: Dubrovinsky
authors.affiliation: School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom.
authors.forename: O
authors.initials: O
authors.lastname: Narygina
authors.affiliation: Bayerisches Geoinstitut, Universität Bayreuth, 95440 Bayreuth, Germany.
authors.forename: C
authors.initials: C
authors.lastname: McCammon
authors.affiliation: Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany.
authors.forename: B
authors.initials: B
authors.lastname: Hewener
authors.affiliation: Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany.
authors.forename: V
authors.initials: V
authors.lastname: Schünemann
authors.affiliation: Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany.
authors.forename: J
authors.initials: J
authors.lastname: Wolny
authors.affiliation: Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany.
authors.forename: K
authors.initials: K
authors.lastname: Muffler
authors.affiliation: European Synchrotron Radiation Facility (ESRF), F-38043 Grenoble Cedex, France.
authors.forename: A I
authors.initials: AI
authors.lastname: Chumakov
authors.affiliation: European Synchrotron Radiation Facility (ESRF), F-38043 Grenoble Cedex, France.
authors.forename: W
authors.initials: W
authors.lastname: Crichton
authors.affiliation: European Synchrotron Radiation Facility (ESRF), F-38043 Grenoble Cedex, France.
authors.forename: M
authors.initials: M
authors.lastname: Hanfland
authors.affiliation: Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, USA.
authors.forename: V B
authors.initials: VB
authors.lastname: Prakapenka
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University, Linköping, Sweden.
authors.forename: F
authors.initials: F
authors.lastname: Tasnádi
authors.affiliation: Swedish e-Science Research Centre (SeRC), Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden.
authors.forename: M
authors.initials: M
authors.lastname: Ekholm
authors.affiliation: Institute of Theoretical and Computational Physics, TU Graz, 8010 Graz, Austria.
authors.forename: M
authors.initials: M
authors.lastname: Aichhorn
authors.affiliation: Centro Atómico Constituyentes, GIyANN, CNEA, San Martin, Buenos Aires, Comisión Nacional de Investigaciones Científicas y Técnicas, Ciudad de Buenos Aires, Argentina.
authors.forename: V
authors.initials: V
authors.lastname: Vildosola
authors.affiliation: Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044, Stockholm, Sweden.
authors.forename: A V
authors.initials: AV
authors.lastname: Ruban
authors.affiliation: Radboud University Nijmegen, Institute for Molecules and Materials, 6525 AJ, Nijmegen, Netherlands.
authors.forename: M I
authors.initials: MI
authors.lastname: Katsnelson
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University, Linköping, Sweden.
authors.forename: I A
authors.initials: IA
authors.lastname: Abrikosov