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Electron–Phonon Coupling in Luminescent Europium-Doped Hydride Perovskites Studied by Luminescence Spectroscopy, Inelastic Neutron Scattering, and First-Principles Calculations
journal contribution
posted on 2018-04-17, 00:00 authored by Gauthier Lefevre, Alexander Herfurth, Holger Kohlmann, Adlane Sayede, Thomas Wylezich, Sacha Welinski, Pedro Duarte Vaz, Stewart F. Parker, Jean François Blach, Philippe Goldner, Nathalie KunkelWe 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.
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hydride4 f 7europium-doped compoundsline widthshost materiale g2 DFirst-Principles CalculationsHydride-containing host latticesdeuterides LiMH 3inelastic neutronLuminescence SpectroscopytransitionInelastic Neutron Scatteringdivalent europiumeuropium-free compoundscase studymodel systemlattice phonons1 Hluminescence emission spectroscopywell-resolved vibroniccompounds showVienna Ab initio Simulation PackageLiMD 3luminescence quenchingisotope effectsLuminescent Europium-Doped Hydride Perovskites StudiedINS datadoping concentrations
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