The Vibrational and Thermodynamic Properties of CsPbI(3) Polymorphs: An Improved Description Based on the SCAN meta-GGA Functional

[Image: see text] We report the vibrational and thermodynamic properties of four known CsPbI(3) polymorphs in the framework of the density functional theory. We compare the recently introduced strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) wit...

Descripción completa

Detalles Bibliográficos
Autores principales: Kaczkowski, Jakub, Płowaś-Korus, Iwona
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8397336/
https://www.ncbi.nlm.nih.gov/pubmed/34251837
http://dx.doi.org/10.1021/acs.jpclett.1c01798

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8397336/
https://www.ncbi.nlm.nih.gov/pubmed/34251837
http://dx.doi.org/10.1021/acs.jpclett.1c01798

Ejemplares similares