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Electronic Structure of Luminescent Materials

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Optical and Photonic Materials".

Deadline for manuscript submissions: closed (6 December 2021) | Viewed by 2278

Special Issue Editor

LumiLab, Department of Solid State Sciences, Ghent University, B-9000 Gent, Belgium
Interests: luminescence; electronic structure; lanthanides; quantum chemistry; optical spectroscopy; X-ray spectroscopy; LEDs; electronic displays

Special Issue Information

Dear Colleagues,

The importance of luminescent materials in our daily life cannot be underestimated. They enable sustainable lighting technologies and cutting-edge electronic displays but are also crucial for out-of-sight applications such as telecommunication, radiation dosimetry, and detection. At the same time, novel applications in medical imaging, (nano)sensing, photovoltaics, etc. are on the rise. This leads to an increasing need for new and more specialized luminescent compounds which demand a thoughtful engineering of materials. Materials properties can be tweaked by adding one or several optical dopants (transition metals, lanthanides, actinides or so-called s2 ions from the heavy p-block), changing the host crystals (all kinds of oxides, sulfides, nitrides, hydrides, etc.) or by manipulating native or charge-compensating defects. In the case of nanomaterials, the modification of the dimensions and shapes of the nanostructures can strongly affect the physical properties. This means that a huge parameter space needs to be explored, something which cannot be done efficiently unless reliable structure–property relations are available. A lot of electronic structure methods are being applied to this means, often strongly differing in methodology and assumptions. This Special Issue aims at providing a forum to discuss the strengths and weaknesses of the entire zoo of electronic structure techniques and how they are combined with experimental studies in the quest for new and improved luminescent materials.

Dr. Jonas Joos
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • luminescent materials
  • nanomaterials
  • lanthanides
  • transition metal ions
  • electronic structure
  • materials engineering
  • experimental and theoretical spectroscopy
  • structure–property relations

Published Papers (1 paper)

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Research

13 pages, 4193 KiB  
Article
Influence of Isostatic Pressure on the Elastic and Electronic Properties of K2SiF6:Mn4+
by Mekhrdod Subhoni, Umar Zafari, Chong-Geng Ma, Alok M. Srivastava, William W. Beers, William E. Cohen, Mikhail G. Brik, Michal Piasecki and Tomoyuki Yamamoto
Materials 2022, 15(2), 613; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15020613 - 14 Jan 2022
Cited by 4 | Viewed by 1885
Abstract
Isostatic pressure effects on the elastic and electronic properties of non-doped and Mn4+-doped K2SiF6 (KSF) have been investigated by first-principles calculations within density functional theory (DFT). Bulk modulus was obtained by the Murnaghan’s equation of states (EOS) using [...] Read more.
Isostatic pressure effects on the elastic and electronic properties of non-doped and Mn4+-doped K2SiF6 (KSF) have been investigated by first-principles calculations within density functional theory (DFT). Bulk modulus was obtained by the Murnaghan’s equation of states (EOS) using the relationship between volume and pressures at pressures between 0 and 40 GPa, and elastic constants were calculated by the stress–strain relationship giving small distortions at each pressure point. The other elastic parameters such as shear modulus, sound velocity and Debye temperature, which can be obtained from the elastic constants, were also estimated. The influence of external isostatic pressure on the electronic properties, such as crystal field strength 10Dq and emission energy of 2E → 4A2 transition (Eem), of KSF:Mn4+ was also studied. The results suggest that 10Dq and Eem linearly increase and decrease, respectively, with increasing pressure. Full article
(This article belongs to the Special Issue Electronic Structure of Luminescent Materials)
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