Title: Thermoluminescence, Photoluminescence and Optically Stimulated Luminescence Characteristics of CaSO4:Eu Phosphor: An Experimental and Density Functional Theory (DFT) Investigation - dataset


Citation
Mandlik NT, Rondiya SR, Dzade NY, et al. (2020). Thermoluminescence, Photoluminescence and Optically Stimulated Luminescence Characteristics of CaSO4:Eu Phosphor: An Experimental and Density Functional Theory (DFT) Investigation - dataset. Cardiff University. http://doi.org/10.17035/d.2020.0098315425



Access Rights: Data is provided under a Creative Commons Attribution (CC BY 4.0) licence

Access Method: Click to email a request for this data to opendata@cardiff.ac.uk


Cardiff University Dataset Creators


Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2020

Coverage start date: 01/06/2019

Coverage end date: 31/12/2019

Data format: .xlsx

Estimated total storage size of dataset: Less than 100 megabytes

DOI : 10.17035/d.2020.0098315425

DOI URL: http://doi.org/10.17035/d.2020.0098315425


Description

In the present report, CaSO4:Eu in the nanocrystalline form have been synthesized by chemical method and studied its luminescence properties. The thermoluminescence (TL) and optically stimulated luminescence (OSL) response of the CaSO4:Eu nanophosphor have been investigated up to 100 Gy and theoretical fitting of the OSL decay curve is done. First-principles Density Functional Theory (DFT) calculations have also been performed to gain atomistic insights into the luminescence properties of the pure CaSO4 and CaSO4:Eu materials, by predicting the electronic band structures and partial density of states (PDOS).

The experimental and Density functional theory (DFT) theoretical simulation datasets are available in the .xlsx format (can be viewed either by MS Office or Libre Office) comprising 13 datasheets named after the Figure numbers in the published manuscript in the Journal of Luminescence. The experimental data comprises, XRD data, thermoluminescence (TL) and optically stimulated luminescence (OSL) response data. Data for the optimized structures for the bulk CaSO4 and CaSO4:Eu in the hexagonal and orthorhombic phases are available in the CONTCAR format of the VASP simulation program (datasheet 11). The CONTCAR files consist of lattice parameter and atomic positions and can be viewed either by MS Office or WordPad. The CONTCAR files for the lowest-energy configurations predicted on the (001), (101) and (110) surface of Zn3P2 are provided. The density of states (DOS) data are in 2 columns: the first column is the Energy (eV) and the second column is the intensity of the DOS (arb. units). All data can be plotted using any plotting software, e.g., xmgrace, excel.

Research results based upon these data are published at https://doi.org/10.1016/j.jlumin.2020.117051


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Last updated on 2020-29-06 at 10:53