The electronic properties of impurities (N, C, F, Cl, and S) in Ag(3)PO(4): A hybrid functional method study

The transition energies and formation energies of N, C, F, Cl, and S as substitutional dopants in Ag(3)PO(4) are studied using first-principles calculations based on the hybrid Hartree-Fock density functional, which correctly reproduces the band gap and thus provides the accurate defect states. Our...

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Detalles Bibliográficos
Autores principales: Huang, Yang, Ma, Tai, Chen, Qing-yuan, Cao, Chao, He, Yao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4522668/
https://www.ncbi.nlm.nih.gov/pubmed/26234200
http://dx.doi.org/10.1038/srep12750

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4522668/
https://www.ncbi.nlm.nih.gov/pubmed/26234200
http://dx.doi.org/10.1038/srep12750

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