Changes in the hydrogen nuclear kinetic energy across the several phases of methylammonium lead tribromide.
Journal
The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360
Informations de publication
Date de publication:
07 Sep 2022
07 Sep 2022
Historique:
entrez:
8
9
2022
pubmed:
9
9
2022
medline:
9
9
2022
Statut:
ppublish
Résumé
We present an experimental investigation of methylammonium lead tribromide single crystals in the orthorhombic, tetragonal, and cubic phases based on inelastic and deep inelastic neutron scattering experiments. We show how the average hydrogen nuclear kinetic energy, mainly affected by zero-point vibrational energies, shows differences larger compared to the changes simply related to temperature effects when moving from one phase to another. In particular, the Gaussian contribution to the average nuclear kinetic energy is larger in the tetragonal phase compared to the cubic and orthorhombic ones. Moreover, we find that the vibrational densities of states of MAPbBr
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM