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Photoluminescence: Applications01:14

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Updated: Jun 3, 2026

Low-energy Cathodoluminescence for (Oxy)Nitride Phosphors
07:03

Low-energy Cathodoluminescence for (Oxy)Nitride Phosphors

Published on: November 15, 2016

First-principles study of blue silicate phosphors.

M Ishida1, Y Imanari, T Isobe

  • 1Tsukuba Research Laboratory, Sumitomo Chemical Co. Ltd, 6 Kitahara, Tsukuba 300-3294, Japan. ishida@tuc.sumitomo-chem.co.jp

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|March 10, 2011
PubMed
Summary
This summary is machine-generated.

First-principles calculations reveal key insights into the optical properties of blue silicate phosphor (CMS:Eu). Computational materials screening proves effective for developing advanced phosphor materials.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Computational Chemistry

Background:

  • Blue silicate phosphors, such as CMS:Eu, are crucial for lighting and display technologies.
  • Understanding their optical properties is essential for performance optimization.
  • First-principles calculations offer a powerful tool for materials characterization.

Purpose of the Study:

  • To investigate the optical properties of blue silicate phosphor (CMS:Eu) using first-principles calculations.
  • To elucidate the role of electronic structure and wavefunction hybridization in optical absorption and electron-hole migration.
  • To validate the efficacy of computational materials screening for phosphor development.

Main Methods:

  • Density Functional Theory (DFT) based first-principles calculations.
  • Analysis of electronic band structure and density of states.
  • Calculation of optical absorption spectra.

Main Results:

  • Wavefunction hybridization significantly influences nonradiative electron and hole migration.
  • The calculated optical absorption spectrum accurately reflects experimental excitation spectrum features.
  • Computational screening demonstrates potential for accelerating phosphor material discovery.

Conclusions:

  • First-principles calculations provide valuable insights into the optical behavior of CMS:Eu.
  • Wavefunction hybridization is a critical factor in the phosphor's energy transfer mechanisms.
  • Computational materials screening is a viable and effective strategy for next-generation phosphor development.