Vibrational Properties of CuO and Cu<sub>4</sub>O<sub>3</sub> from First-Principles Calculations, and Raman and Infrared Spectroscopy

Debbichi, Lamjed; Marco de Lucas, M.C.; Pierson, J.F.; Krüger, Péter

doi:10.1021/jp303096m

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Vibrational Properties of CuO and Cu4O3 from First-Principles Calculations, and Raman and Infrared Spectroscopy

Shared by NobleBlocks on Apr 18, 2012 • 12:00 AM UTC

Authors:

Lamjed Debbichi

M.C. Marco de Lucas

J.F. Pierson

Abstract

A combined experimental and theoretical study is reported on the vibrational properties of tenorite CuO and paramelaconite Cu4O3. The optically active modes have been measured by Raman scattering and infrared absorption spectroscopy. First-principles calculations have been carried out with the LDA+U...

Subject

Raman spectroscopy

Brillouin zone

Phonon

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