Université de Fribourg

Photoluminescence properties of Yb²⁺ ions doped in the perovskites CsCaX₃ and CsSrX₃ (X = Cl, Br, and I) – a comparative study

Suta, Markus ; Urland, Werner ; Daul, Claude ; Wickleder, Claudia

In: Physical Chemistry Chemical Physics, 2016, vol. 18, no. 19, p. 13196–13208

The Yb²⁺-doped perovskite derivatives CsMX₃ (M = Ca and Sr; X = Cl, Br, and I) are ideal systems for obtaining a detailed insight into the structure–luminescence relationship of divalent lanthanides. The investigation of the respective photoluminescence properties yielded two emission bands in the violet and blue spectral range for all compounds, which are assigned to the spin-allowed...

Université de Fribourg

Prospecting lighting applications with ligand field tools and density functional theory: a first-principles account of the 4f⁷–4f⁶5d¹ Luminescence of CsMgBr₃:Eu²⁺

Ramanantoanina, Harry ; Cimpoesu, Fanica ; Göttel, Christian ; Sahnoun, Mohammed ; Herden, Benjamin ; Suta, Markus ; Wickleder, Claudia ; Urland, Werner ; Daul, Claude

In: Inorganic Chemistry, 2015, vol. 54, no. 17, p. 8319–8326

The most efficient way to provide domestic lighting nowadays is by light-emitting diodes (LEDs) technology combined with phosphors shifting the blue and UV emission toward a desirable sunlight spectrum. A route in the quest for warm-white light goes toward the discovery and tuning of the lanthanide-based phosphors, a difficult task, in experimental and technical respects. A proper theoretical...

Université de Fribourg

A ligand field theory-based methodology for the characterization of the Eu²⁺ [Xe]4f⁶5d¹ excited states in solid state compounds

García-Fuente, Amador ; Cimpoesu, Fanica ; Ramanantoanina, Harry ; Herden, Benjamin ; Daul, Claude ; Suta, Markus ; Wickleder, Claudia ; Urland, Werner

In: Chemical Physics Letters, 2015, vol. 622, p. 120–123

The theoretical rationalization of the open-shell 4f and 5d configuration of Eu²⁺ is by far not trivial because it involves a non-standard version of ligand field theory, based on a two-shell Hamiltonian. Here we present our methodology based on ligand field theory, taking the system CsCaBr₃:Eu²⁺ as a case study with an octahedral coordination sphere of Eu²⁺. The ligand field,...