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Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals

X-ray diffraction, Amorphous silicon, Multi-objective optimization, Monte Carlo methods. This paper addresses a difficult inverse problem that involves the reconstruction of a three-dimensional model of tetrahedral amorphous semiconductors via inversion of diffraction data. By posing the material-st...

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Detalles Bibliográficos
Autores principales: Limbu, Dil K., Elliott, Stephen R., Atta-Fynn, Raymond, Biswas, Parthapratim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7210951/
https://www.ncbi.nlm.nih.gov/pubmed/32385360
http://dx.doi.org/10.1038/s41598-020-64327-3