Phonon structure, infra-red and raman spectra of li2mno3 by first-principles calculations

HIGHLIGHTS

  • who: Ruth Pulido and colleagues from the Departamento de Fu00edsica Aplicada and Instituto Universitario de Ciencia de Materiales Nicolu00e1s Cabrera, Universidad Autu00f3noma de Madrid, Madrid, Spain have published the paper: Phonon Structure, Infra-Red and Raman Spectra of Li2MnO3 by First-Principles Calculations, in the Journal: Materials 2022, 15, 6237. of 15/08/2022
  • what: The authors used based on density functional theory (DFT) to study the crystal structure optical phonon frequencies infra-red (IR) and active modes and compared the results with experimental data. powder was synthesized by the hydrothermal method and successively characterized . . .

     

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