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Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites

Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations,...

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Publicat a:Adv Sci (Weinh)
Autors principals: Miglio, Anna, Heinrich, Christophe P., Tremel, Wolfgang, Hautier, Geoffroy, Zeier, Wolfgang G.
Format: Artigo
Idioma:Inglês
Publicat: John Wiley and Sons Inc. 2017
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5604395/
https://ncbi.nlm.nih.gov/pubmed/28932668
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.201700080
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