Illuminating stability and spectral shifts: A DFT+U study of Eu-doped ZnWO4 for visible-light optoelectronics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F25%3A43976799" target="_blank" >RIV/49777513:23640/25:43976799 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.jlumin.2025.121511" target="_blank" >https://doi.org/10.1016/j.jlumin.2025.121511</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jlumin.2025.121511" target="_blank" >10.1016/j.jlumin.2025.121511</a>
Alternative languages
Result language
angličtina
Original language name
Illuminating stability and spectral shifts: A DFT+U study of Eu-doped ZnWO4 for visible-light optoelectronics
Original language description
Tungstate-based oxides have attracted significant attention owing to their excellent structural stability, chemical robustness, and versatile optical properties, making them suitable for next-generation optoelectronic and phosphor applications. Among these, ZnWO4 has emerged as a promising host matrix; however, the role of europium (Eu) substitution in modulating its optoelectronic behavior remains underexplored. In this work, we employ spin-polarized density functional theory (DFT) within the GGA + U framework to investigate the structural, electronic, and optical properties of pristine ZnWO4 and Eu-doped ZnWO4 systems. Phonon dispersion analysis confirms dynamical stability for both pristine and doped structures. Eu doping reduces the bandgap, introduces new localized states near the Fermi level, and significantly alters the density of states, thereby enhancing electronic transitions. The optical response reveals a broadened dielectric function, red-shifted absorption edge, and intensified extinction coefficient, consistent with the presence of Eu 4f states. Additionally, reflectivity and energy-loss spectra indicate improved photon-phonon coupling and optical tunability upon doping. These findings highlight that Eu incorporation not only stabilizes the ZnWO4 lattice but also tailors its optoelectronic features, positioning Eu-doped ZnWO4 as a potential candidate for white-light-emitting diodes (wLEDs) and related optoelectronic technologies.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Quantum materials for applications in sustainable technologies</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF LUMINESCENCE
ISSN
0022-2313
e-ISSN
1872-7883
Volume of the periodical
288
Issue of the periodical within the volume
DEC 2025
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
11
Pages from-to
nestránkováno
UT code for WoS article
001572458000001
EID of the result in the Scopus database
2-s2.0-105015489619