The role of the Ca vacancy in the determination of the europium position in the energy gap, its valence state and spectroscopic properties in KCa(PO3)3
Literature Information
A. Watras, A. Matraszek, P. Godlewska, I. Szczygieł, J. Wojtkiewicz, B. Brzostowski, G. Banach, P. J. Dereń
A new very promising red phosphor KCa1−xEux(PO3)3 (x = 1–5%) has been grown by the solid state method. Its luminescent quantum efficiency is close to 100% and the emission is stable over a wide temperature range i.e. 90% and 60% of the room temperature emission intensity remains at 200 °C and at 600 °C, respectively. The chromaticity coordinates were calculated as being x = 0.63, y = 0.37. The IR and Raman spectra were measured, and the maximum phonon energy of KCa1−xEux(PO3)3 is 1276 cm−1. In the measured emission and excitation spectra of all samples only Eu3+ ion emission was observed, emission of Eu2+ is not present. Quantum mechanical calculations showed that in a perfect crystal the 5d levels of Eu2+ are embedded in the conduction band. Consequently, neither absorption nor emission assigned to the Eu2+ ions could be observed. The presence of a calcium vacancy is crucial for the explanation of the observed spectrum. The existence of a Ca2+ vacancy compensates for the charge of Eu3+ and results in the creation of the magnetic moment which moves the 4f levels to the valence band. Thus, transitions to the Eu3+ excited levels located in the energy band gap are observed.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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