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
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

Identifiants

pubmed: 36075726
doi: 10.1063/5.0104917
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

094501

Auteurs

Giovanni Romanelli (G)

Physics Department and NAST Centre, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.

Carla Andreani (C)

Physics Department and NAST Centre, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.

Laura Fazi (L)

Department of Chemical Science and Technologies and NAST Centre, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.

Arthur Ishteev (A)

LASE - Laboratory of Advanced Solar Energy, NUST MISiS, 119049 Moscow, Russia.

Kamilla Konstantinova (K)

LASE - Laboratory of Advanced Solar Energy, NUST MISiS, 119049 Moscow, Russia.

Enrico Preziosi (E)

Physics Department and NAST Centre, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.

Roberto Senesi (R)

Physics Department and NAST Centre, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.

Aldo Di Carlo (A)

CHOSE - Centre for Hybrid and Organic Solar Energy, University of Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy.

Classifications MeSH