%0 Journal Article
%A Lefevre, Gauthier
%A Herfurth, Alexander
%A Kohlmann, Holger
%A Sayede, Adlane
%A Wylezich, Thomas
%A Welinski, Sacha
%A Duarte Vaz, Pedro
%A Parker, Stewart F.
%A Blach, Jean François
%A Goldner, Philippe
%A Kunkel, Nathalie
%D 2018
%T Electron–Phonon Coupling in Luminescent Europium-Doped
Hydride Perovskites Studied by Luminescence Spectroscopy, Inelastic
Neutron Scattering, and First-Principles Calculations
%U https://acs.figshare.com/articles/journal_contribution/Electron_Phonon_Coupling_in_Luminescent_Europium-Doped_Hydride_Perovskites_Studied_by_Luminescence_Spectroscopy_Inelastic_Neutron_Scattering_and_First-Principles_Calculations/6227021
%R 10.1021/acs.jpcc.8b01011.s001
%2 https://acs.figshare.com/ndownloader/files/11354111
%K hydride
%K 4 f 7
%K europium-doped compounds
%K line widths
%K host material
%K e g
%K 2 D
%K First-Principles Calculations
%K Hydride-containing host lattices
%K deuterides LiMH 3
%K inelastic neutron
%K Luminescence Spectroscopy
%K transition
%K Inelastic Neutron Scattering
%K divalent europium
%K europium-free compounds
%K case study
%K model system
%K lattice phonons
%K 1 H
%K luminescence emission spectroscopy
%K well-resolved vibronic
%K compounds show
%K Vienna Ab initio Simulation Package
%K LiMD 3
%K luminescence quenching
%K isotope effects
%K Luminescent Europium-Doped Hydride Perovskites Studied
%K INS data
%K doping concentrations
%X We present a case
study on the vibrational coupling of lattice
phonons to the electronic 4f7 (8S7/2)–4f65d1 (eg) transition
of divalent europium in the hydrides and deuterides LiMH3 and LiMD3 (M = Sr and Ba). For low doping concentrations,
these compounds show extraordinarily well-resolved vibronic fine structures
at low temperatures. Besides luminescence emission spectroscopy of
the europium-doped compounds, we carried out inelastic neutron scattering
(INS) experiments of the europium-free compounds. The phonons coupling
to the electronic transition are identified, and a good agreement
between the vibronic and the INS data is found. The frequencies of
the low-energy acoustic modes do not significantly change upon replacing
hydride by deuteride, whereas a decrease by a factor of approximately 2 can be
observed for the higher energy optic
modes. Furthermore, we compare these experimental results to density
functional calculations performed with the Vienna Ab initio Simulation
Package. Knowledge of the phonons of a host material is of great importance
because phonons have a large influence on the optical properties,
such as line widths or luminescence quenching. Hydride-containing
host lattices are an ideal model system because 1H can
easily be replaced by 2D so that isotope effects can be
investigated.
%I ACS Publications