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GW‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe(2)O(4): Effect of Cation Distribution and Spin Configuration

The G0W0, evGW0, evGW, and scGW0 approximations to many‐body perturbation theory combined with the Bethe‐Salpeter approach (BSE) are applied to calculate electronic and optical properties of the open‐shell spinel ferrite ZnFe(2)O(4). The effect of the various degrees of self‐consistency is assessed...

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Detalles Bibliográficos
Autores principales:	Ulpe, Anna C., Bredow, Thomas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2020
Materias:	Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7155046/ https://www.ncbi.nlm.nih.gov/pubmed/31916657 http://dx.doi.org/10.1002/cphc.201901088

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