Ab Initio Lattice Dynamics and Thermodynamical Properties

Razvan Caracas, Xavier Gonze

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

6 Citations (Scopus)
Original languageEnglish
Title of host publicationThermodynamic Properties of Solids
Subtitle of host publicationExperiment and Modeling
PublisherWiley-VCH
Pages291-315
Number of pages25
ISBN (Print)9783527408122
DOIs
Publication statusPublished - 4 Aug 2010
Externally publishedYes

Keywords

  • Density-functional perturbation theory
  • Harmonic approximation
  • Infrared spectra
  • Lattice dynamics
  • Raman spectra
  • Thermodynamical properties

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