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Influence of Spin State and Cation Distribution on Stability and Electronic Properties of Ternary Transition-Metal Oxides

[Image: see text] This work is a systematic ab initio study of the influence of spin state and cation distribution on the stability, dielectric constant, electronic band gap, and density of states of ternary transition-metal oxides. As an example, the chemical family of spinel ferrites MFe(2)O(4), w...

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Detalles Bibliográficos
Autores principales:	Ulpe, Anna C., Bauerfeind, Katharina C. L., Bredow, Thomas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648862/ https://www.ncbi.nlm.nih.gov/pubmed/31459622 http://dx.doi.org/10.1021/acsomega.8b03254

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