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Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN

The dissolution of molecular nitrogen in Ga and Fe was investigated by ab initio calculations and some complementary experiments. It was found that the N bonding inside these solvents is fundamentally different. For Ga, it is between Ga4s and Ga4p and N2p states whereas for Fe this is by N2p to Fe4s...

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Detalles Bibliográficos
Autores principales: Piechota, Jacek, Krukowski, Stanislaw, Sadovyi, Petro, Sadovyi, Bohdan, Porowski, Sylwester, Grzegory, Izabella
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7963180/
https://www.ncbi.nlm.nih.gov/pubmed/33803174
http://dx.doi.org/10.3390/ma14051306