Self-Consistent Hybrid Functional Calculations: Implications for Structural, Electronic, and Optical Properties of Oxide Semiconductors

The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost. Recently, a newly developed self-consistent hybrid functional has been proposed (Skone et al., Phys. Rev. B 89:195112, 2...

Descripción completa

Detalles Bibliográficos
Autores principales: Fritsch, Daniel, Morgan, Benjamin J., Walsh, Aron
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2017
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5216012/
https://www.ncbi.nlm.nih.gov/pubmed/28058655
http://dx.doi.org/10.1186/s11671-016-1779-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5216012/
https://www.ncbi.nlm.nih.gov/pubmed/28058655
http://dx.doi.org/10.1186/s11671-016-1779-9

Ejemplares similares