Photoluminescence emissions of Ca1?WO4:xEu3+: Bridging between experiment and DFT calculations

نویسندگان

چکیده

In this work, the impact of doping process on photoluminescence emission CaWO 4 as a function concentration Eu 3+ cation (0.01 mol%, 0.02 0.04 0.06 0.08 and 0.10 mol%) is discussed in detail. Ca 1? x WO : samples were successfully synthesized by simple co-precipitation method followed microwave irradiation. The blue shift absorption edge confirms quantum confinement effect band gap energy covers range from 3.91 to 4.18 eV, amount cations increases. experimental results are sustained first-principles calculations, at density functional theory level, decipher geometry electronic properties, thereby enabling more accurate direct comparison between experiment for structure. detail, calculations endorsed results.

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ژورنال

عنوان ژورنال: Journal of Rare Earths

سال: 2022

ISSN: ['1002-0721', '2509-4963']

DOI: https://doi.org/10.1016/j.jre.2021.08.023