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Full-Text Articles in Physics

Structure, Stability And Vibrational Properties Of Cdse Wurtzite Molecules And Nanocrystals: A Dft Study, Mudar A. Abdulsattar, Hayder M. Abduljalil, Hussein Hakim Abed Jul 2019

Structure, Stability And Vibrational Properties Of Cdse Wurtzite Molecules And Nanocrystals: A Dft Study, Mudar A. Abdulsattar, Hayder M. Abduljalil, Hussein Hakim Abed

Karbala International Journal of Modern Science

Bare and hydrogen passivated CdSe wurtzite molecules and nanostructures are investigated. The investigation is performed using wurtzoid structures that represent the wurtzite structure at the molecular and nanoscale region. The results show that the energy gap of bare and hydrogen passivated CdSe molecules is higher than and converges to the experimental bulk energy gap. Vibrational analysis of wurtzoid molecules shows that the experimental longitudinal optical mode is in between bare and hydrogen passivated CdSe molecules and very near to bare molecules. The stability of wurtzoid molecules against transition to CdSe diamondoids and cuboids that represent the molecular scale of diamond …


Elaboration And Study Of Structural And Optical Properties Of Aubr Nanocrystalsdispersed In Kbr Single Crystals, Hanane Zaioune, Fouzia Zehani, Noureddine Boutaoui, Badis Khennaoui Jan 2019

Elaboration And Study Of Structural And Optical Properties Of Aubr Nanocrystalsdispersed In Kbr Single Crystals, Hanane Zaioune, Fouzia Zehani, Noureddine Boutaoui, Badis Khennaoui

Turkish Journal of Physics

The structural and optical properties of the AuBr nanocrystals embedded in the KBr single crystals grown by the Czochralski method were studied using several techniques. The X-ray diffraction reveals their formation and incorporation. The crystallite average radii calculated from XRD using the Scherrer's formula was found to vary between 19 and 39 nm. The photoluminescence spectra obtained on these same samples present an emission band located at 1.91 eV (650 nm), which can be attributed to the orange luminescence of AuBr nanocrystals. However, the photoluminescence excitation measurements of these nanocrystals exhibit an excitation band located at 3.44 eV (360 nm), …