Quantitative prediction of CeO2 and LaAlO3 infrared spectra based on first-principles calculations
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DOI: 10.1039/d2ra03539a
Abstract: Oxide crystals with specific infrared spectra are widely used in the optical energy industry. Conventional density functional theory calculations reveal various properties of oxide crystals, including their electronic band structure, electronic density of states, vibrational… read more here.
Keywords: laalo3 infrared; oxide crystals; ceo2 laalo3; infrared spectra ... See more keywords