Electronic correlations determine the phase stability of iron up to the melting temperature

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Autor/in:
Erscheinungsjahr:
2014
Medientyp:
Text
Schlagworte:
  • Models
  • Mean
  • Theory DMFT
  • Superconductors (Materials)
  • Superconducting Materials
  • Superconductivity
  • Models
  • Mean
  • Theory DMFT
  • Superconductors (Materials)
  • Superconducting Materials
  • Superconductivity
Beschreibung:
  • We present theoretical results on the high-temperature phase stability and phonon spectra of paramagnetic bcc iron which explicitly take into account many-body effects. Several peculiarities, including a pronounced softening of the {[}110] transverse (T-1) mode and a dynamical instability of the bcc lattice in harmonic approximation are identified. We relate these features to the alpha-to-gamma and gamma-to-delta phase transformations in iron. The high-temperature bcc phase is found to be highly anharmonic and appears to be stabilized by the lattice entropy.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/dc9cbbbb-9239-40c5-b998-e5711dbf9d2b