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Sparse modeling of chemical bonding in binary compounds

A sparse model for quantifying energy difference between zinc-blende and rock-salt crystal structures in octet elemental and binary materials is constructed by using the linearly independent descriptor-generation method and exhaustive search, following the previous work by Ghiringhelli et al. [Phys...

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Detalles Bibliográficos
Autores principales: Kanda, Yosuke, Fujii, Hitoshi, Oguchi, Tamio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7006824/
https://www.ncbi.nlm.nih.gov/pubmed/32082439
http://dx.doi.org/10.1080/14686996.2019.1697858