Lanthanide Ions as Local Probes in Ionic Hydrides: A Pulsed Electron Nuclear Double Resonance and Thermoluminescence Study of Eu2+-Doped Hydride Perovskites

• Published in: Journal of physical chemistry. C Vol. 123; no. 8; pp. 5031 - 5041
• Main Authors: Wylezich, Thomas, Böttcher, Rolf, Sontakke, Atul D, Castaing, Victor, Viana, Bruno, Pöppl, Andreas, Kunkel, Nathalie
• Format: Journal Article
• Language: English
• Published: American Chemical Society 28.02.2019
• ISSN: 1932-7447; 1932-7455
• DOI: 10.1021/acs.jpcc.8b12420

A model study on the use of pulsed electron paramagnetic resonance spectroscopy and optical spectroscopy of Eu2+ as a local probe in hydrides is presented for the Eu2+-doped (and codoped) perovskites LiMH3 and LiMD3 (M = Sr or Ba). Two-pulse field-swept electron spin echo, Davies and Mims electron nuclear double resonance, Davies-type difference triple resonance experiments, and thermoluminescence spectroscopy, as well as density functional calculations, were carried out. Electron nuclear double resonance spectroscopy allows for an unambiguous determination of the position occupied by the dopant ion, which is important information necessary for the correct interpretation of optical spectra. With regard to the current importance of hydrides and mixed anionic hydrides, doping with rare-earth or transition-metal ions and the combination of pulsed EPR and optical spectroscopy may serve as a promising and convenient tool for studying such materials.