Optical properties of heavy rare earth metals (Gd-Lu)

Sapan Mohan Saini*, Nirpendra Singh, Tashi Nautiyal, Sushil Auluck

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

We report calculations of the optical properties of heavy rare earth metals (Gd-Lu) using the full potential linear augmented plane wave method with inclusion of spin orbit coupling. Calculations are performed using the LSDA and LSDA+U approximations. Our calculations show that LSDA+U gives a better representation of the band structure and density of states than LSDA. The optical conductivity with LSDA+U is in better agreement with experiment than that from LSDA at low energies. At high energies, LSDA and LSDA+U yield similar optical conductivities. We find a general shift in the structures of the optical conductivity towards higher energies on going from Gd to Lu. Optical conductivity is dominated by transitions between p and d states. Our results are in good agreement with experiment for all the rare earth metals considered.

Original languageEnglish (US)
Pages (from-to)125-129
Number of pages5
JournalSolid State Communications
Volume140
Issue number3-4
DOIs
StatePublished - Oct 1 2006

Keywords

  • A. Metal
  • D. Electronic band structure
  • D. Optical properties

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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