Structural, optoelectronic, infrared and Raman spectra from first principles calculations of γ-Cd(OH)2

Wehaveinvestigatedthephysicalpropertiesofthecadmiumhydroxidepolymorph γ-Cd(OH)2 using density-functional theory(DFT)consideringboththelocaldensityandgeneralizedgradientapproxima- tions, LDAandGGA,respectively.Theelectronicbandstructure,theelectronicdensityofstates,the dielectric functionandtheopt...

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Detalhes bibliográficos
Principais autores: Barboza, Carlos Antonio, Henriques, J.M., Albuquerque, E.L., Fulco, U.L., Moreira, E.
Formato: article
Idioma:eng
Publicado em: Elsevier
Assuntos:
Semiconductor
Ab initio calculations
Raman spectroscopy
Electronic structure
Optical properties
Endereço do item:https://repositorio.ufrn.br/jspui/handle/123456789/25461
https://doi.org/10.1016/j.jpcs.2014.08.003
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https://repositorio.ufrn.br/jspui/handle/123456789/25461
https://doi.org/10.1016/j.jpcs.2014.08.003

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