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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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John Wiley and Sons Inc.
2020
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| 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 |