Partitioning the vibrational spectrum: Fingerprinting defects in solids

Danny E.P. Vanpoucke*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Original languageEnglish
Article number109736
Number of pages7
JournalComputational Materials Science
Volume181
DOIs
Publication statusPublished - Aug 2020

Keywords

  • DFT
  • Defects
  • Diamond
  • Fingerprinting
  • First principles
  • Phonons
  • Vibrational spectra
  • RAMAN-SPECTRA
  • DIAMOND
  • MECHANISMS
  • SIMULATION
  • MOLECULAR PROPERTY TENSORS
  • PHONONS
  • MODES
  • SPECTROSCOPY

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