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

Public

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

Published in The Journal of Physical Chemistry C • Apr 18, 2012

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 Cu 4 O 3 . The optically active modes have been measured by Raman scattering and infrared absorption spectroscopy. First-principles calculations have been carried out with the L...

Subject

Raman spectroscopy

Brillouin zone

Phonon

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