Hydrostatic pressure-induced transformations and multifunctional properties of Francium-based halide perovskite FrCaCl
Electronic band structure
Halide perovskite
Hybrid HSE06
Mechanical properties
Optical functions
Journal
Heliyon
ISSN: 2405-8440
Titre abrégé: Heliyon
Pays: England
ID NLM: 101672560
Informations de publication
Date de publication:
15 Jul 2024
15 Jul 2024
Historique:
received:
20
05
2024
revised:
14
06
2024
accepted:
03
07
2024
medline:
26
7
2024
pubmed:
26
7
2024
entrez:
26
7
2024
Statut:
epublish
Résumé
Under varying hydrostatic pressures ranging from 0 to 150 GPa, first-principles calculations were conducted to investigate the structural, electronic, bonding, optical, elastic, and mechanical characteristics of the Lead (Pb)-free halide perovskite FrCaCl
Identifiants
pubmed: 39055809
doi: 10.1016/j.heliyon.2024.e34059
pii: S2405-8440(24)10090-4
pmc: PMC11269923
doi:
Types de publication
Journal Article
Langues
eng
Pagination
e34059Informations de copyright
© 2024 The Author(s).
Déclaration de conflit d'intérêts
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.