Revealing the spin-polarized optical properties of monoclinic α-Eu2(MoO4)3: a DFT + U approach

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 51675-51682 ◽  
Author(s):  
A. H. Reshak
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Order Linear ◽  
Optical Dispersion ◽  
First Order ◽  
Spin Polarized ◽  
Linear Optical

The spin polarized complex first-order linear optical dispersion reveals the spin-polarized electronic structure of α-Eu2(MoO4)3.

scholarly journals Controlling the non-linear optical properties of MgO by tailoring the electronic structure

2020 ◽  
Vol 126 (3) ◽  
Author(s):  
Mukhtar Hussain ◽  
Hugo Pires ◽  
Willem Boutu ◽  
Dominik Franz ◽  
Rana Nicolas ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical

ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF A PHOTOLUMINESCENT TANTALITE: EuKNaTaO5

2011 ◽  
Vol 22 (03) ◽  
pp. 263-269
Author(s):  
XIAOLI ZHANG ◽  
GUOREN ZHANG ◽  
TING JIA ◽  
YING GUO ◽  
ZHI ZENG
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Experimental Result ◽  
Full Potential ◽  
Augmented Plane Wave ◽  
Plane Wave Method ◽  
Augmented Plane Wave Method ◽  
Visible Part ◽  
Linear Optical Properties ◽  
Linear Optical

The electronic structure and linear optical properties of luminescent material EuKNaTaO5 are investigated by employing full-potential linear augmented plane wave method. Our results show highly localized Eu 4f states which pinned in the energy range below the unoccupied Ta 5d states and over the occupied O 2p states. The optical spectra are analyzed and interpreted in terms of the electronic structure. It is found that Eu ions absorb the major parts of the incident energy below 3.3 eV. This is in accordance with the experimental result that EuKNaTaO5 phosphor is efficient under the excitation of 535 nm (2.3 eV) visible part of the spectrum. The linear optical properties are found to be anisotropic.

scholarly journals 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties

Molecules ◽  
2020 ◽  
Vol 25 (22) ◽  
pp. 5475
Author(s):  
Ismaël Rabouel ◽  
Nicolas Richy ◽  
Anissa Amar ◽  
Abdou Boucekkine ◽  
Thierry Roisnel ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Bathochromic Shift ◽  
Spectroscopic Properties ◽  
Absorption Bands ◽  
Linear Optical Properties ◽  
Linear Optical ◽  
The Impact

The synthesis of four new 1,3,5-triaryl-1,3,5-triazinane-2,4,6-trithione derivatives (thioisocyanurates) and two new partially thionated analogues from the corresponding 1,3,5-triaryl-1,3,5-triazinane-2,4,6-triones (isocyanurates) is reported, together with their spectroscopic properties. DFT calculations and comparison with the corresponding isocyanurates evidence the impact of the oxygen-for-sulfur replacement on the electronic structure and linear optical properties of these heterocycles. A bathochromic shift of the absorption bands and more efficient quenching of the fluorescence was observed.

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