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Pressure-induced crossing of the core levels in 5d metals

Tal, Alexey (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,National University of Science and Technology MISIS, Russia
Katsnelson, Mikhail I. (author)
Radboud University of Nijmegen, Netherlands; Ural Federal University, Russia
Ekholm, Marcus (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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Jönsson, Johan (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
Dubrovinsky, Leonid (author)
University of Bayreuth, Germany
Dubrovinskaia, Natalia (author)
University of Bayreuth, Germany
Abrikosov, Igor (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,National University of Science and Technology MISIS, Russia
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 (creator_code:org_t)
AMER PHYSICAL SOC, 2016
2016
English.
In: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 93:20, s. 205150-
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • 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.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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