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Pressure-induced crossing of the core levels in 5d metals
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. National University of Science and Technology MISIS, Russia.
Radboud University of Nijmegen, Netherlands; Ural Federal University, Russia.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-7563-1494
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
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2016 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 93, no 20, 205150- p.Article in journal (Refereed) Published
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Abstract [en]

A pressure-induced interaction between core electrons, the core-level crossing (CLC) transition, has been observed in hcp Os at P approximate to 400 GPa [L. Dubrovinsky et al., Nature (London) 525, 226 (2015)]. By carrying out a systematic theoretical study for all metals of the 5d series (Hf, Ta, W, Re, Os, Ir, Pt, Au) we have found that the CLC transition is a general effect for this series of metals. While in Pt it occurs at approximate to 1500 GPa, at a pressure substantially higher than in Os, in Ir it occurs already at 80 GPa. Moreover, we predict that in Re the CLC transition may take place already at ambient pressure. We explain the effect of the CLC and analyze the shift of the transition pressure across the series within the Thomas-Fermi model. In particular, we show that the effect has many common features with the atomic collapse in rare-earth elements.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2016. Vol. 93, no 20, 205150- p.
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Condensed Matter Physics
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URN: urn:nbn:se:liu:diva-129490DOI: 10.1103/PhysRevB.93.205150ISI: 000376638700004OAI: oai:DiVA.org:liu-129490DiVA: diva2:940490
Note

Funding Agencies|Swedish Government Strategic Research Area Grant Swedish e-Science Research Centre (SeRC); Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of MISiS; Swedish Foundation for Strategic Research (SSF) program SRL [10-0026]; Swedish Research Council (VR) [2015-04391]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; Ministry of Education and Science of the Russian Federation [14.Y26.31.0005]; German Research Foundation (DFG); Federal Ministry of Education and Research (BMBF), Germany; DFG [DU 954-8/1]; BMBF (PT-DESY) [5K13WC3, O5K2013, 2]; Act 211 Government of the Russian Federation [02.A03.21.0006]; Knut and Alice Wallenberg Foundation [2012.0083, 2014-2019]

Available from: 2016-06-21 Created: 2016-06-20 Last updated: 2017-11-28

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