Application of nuclear inelastic scattering spectroscopy to the frequency scale calibration of ab initio calculated phonon density of states of quasi-one-dimensional ternary iron chalcogenide rbfese2

HIGHLIGHTS

• who: Airat Kiiamov and colleagues from the University of Augsburg, Augsburg, Germany have published the paper: Application of Nuclear Inelastic Scattering Spectroscopy to the Frequency Scale Calibration of Ab Initio Calculated Phonon Density of States of Quasi-One-Dimensional Ternary Iron Chalcogenide RbFeSe2, in the Journal: (JOURNAL)
• what: The authors compare the experimental PDOS with the previous results on vibrational properties of obtained with density functional theory (DFT) ab initio calculations conventional Mössbauer and infra-red spectroscopies. In the previous paper , the authors used both of these approaches to estimate the frequency correction factor . . .
  

   

  

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