Computer modelling of the optical properties of rare‐earth doped metal fluorides

Autor:	Mário E.G. Valerio, Elizabeth M. Maddock, M.A. Couto dos Santos, Robert A. Jackson, J. B. Amaral
Rok vydání:	2007
Předmět:	Dopant Field (physics) Rare earth Doping Condensed Matter Physics Molecular physics Ion Crystal Metal Condensed Matter::Materials Science chemistry.chemical_compound chemistry Computational chemistry Condensed Matter::Superconductivity visual_art visual_art.visual_art_medium Fluoride
Zdroj:	physica status solidi c. 4:1185-1188
ISSN:	1610-1642 1862-6351
Popis:	A computational approach to calculating the optical properties of doped metal fluoride materials is presented, and applied to rare earth doping in the BaY2F8 and LaF3 systems. Optimal locations for dopant ions are predicted, along with solution energies and charge compensation mechanisms. Energy levels for dopant ions are predicted using adapted crystal field calculations. The results of the predictions are compared with experimental data. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5f78b718106d88c17cea5634bd191a1e https://doi.org/10.1002/pssc.200673708 Zobrazit plný text záznamu Plný text