What is it about?
In summary, we have presented the results of non-local hybrid calculations to investigate the stability, structural, electronic, and optical properties of rare-earth metal oxide compounds.
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Why is it important?
Our optical spectra also fully explain the structural and electronic properties of the material. (i.e. atomic-bonding, density or capacity inside Cerium oxide system, and the excitation of electrons to transfer from valence O 2p to conduction Ce f orbitals, leading to orbital hybridizations, etc.)
Perspectives
The findings of this work would be beneficial to both theoretical and experimental research works to explore the potential applications of CeO2 in optoelectronics devices.
Dr Geoffrey Tse
Southern University of Science and Technology
Read the Original
This page is a summary of: Computational predictions of CeO2 using HSE03: An ab initio investigation, Modern Physics Letters B, July 2023, World Scientific Pub Co Pte Lt,
DOI: 10.1142/s0217984923501555.
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