DFT calculation and experimental study on electronic structure and optical properties of 7-Amino-4-oxo-3-(2-(2-thienyl)vinyl)-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-8-carbonitrile thin films

Optik ◽  
2020 ◽  
Vol 220 ◽  
pp. 165199
Author(s):  
A.A. Al-Muntaser ◽  
M.M. El-Nahass ◽  
Hosam A. Saad
Keyword(s):  
Thin Films ◽  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure ◽  
Dft Calculation

scholarly journals A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO4 microcrystals

Polyhedron ◽  
2013 ◽  
Vol 54 ◽  
pp. 13-25 ◽  
Author(s):  
L.S. Cavalcante ◽  
E. Moraes ◽  
M.A.P. Almeida ◽  
C.J. Dalmaschio ◽  
N.C. Batista ◽  
...  
Keyword(s):  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

2015 ◽  
Vol 42 ◽  
pp. 351-360 ◽  
Author(s):  
A.A. Lavrentyev ◽  
B.V. Gabrelian ◽  
V.T. Vu ◽  
P.N. Shkumat ◽  
G.L. Myronchuk ◽  
...  
Keyword(s):  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure ◽  
Band Structure ◽  
Dft Calculations

Electronic structure, optical properties, and ionic dynamics in electrochromic thin films

2003 ◽  
Author(s):  
Anton Ravinski ◽  
Tadeusz Lukaszewicz ◽  
Marian Kucharski
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
Electronic Structure

scholarly journals DFT Calculation on the Electronic Structure and Optical Properties of InxGa1-xN Alloy Semiconductors

2019 ◽  
Vol 26 (2) ◽  
pp. 127-132
Author(s):  
Xuewen WANG ◽  
Wenwen LIU ◽  
Chunxue ZHAI ◽  
Jiangni YUN ◽  
Zhiyong ZHANG
Keyword(s):  
Optical Properties ◽  
Absorption Spectrum ◽  
Electronic Structure ◽  
Density Functional ◽  
Dft Calculation ◽  
Generalized Gradient ◽  
Functional Theory ◽  
Photoelectric Performance ◽  
The Density Functional Theory ◽  
Alloy Semiconductors

Using the density functional theory (DFT) of the first principle and Generalized gradient approximation method, the electronic structures and optical properties of the InxGa1-xN crystals with different x (x = 0.25, 0.5, 0.75, 1) have been calculated in this paper. The influence of the electronic structure on the properties has been analyzed. Then the influence of doping quantity on the characteristics has been summarized, which also indicates the trend of complex dielectric function, absorption spectrum and transitivity. With the increase of x, the computational result shows that the optical band gap (i.e.Eg) of the InxGa1-xN crystal tends to be narrow, then the absorption spectrum shifts to the low-energy direction. And the Fermi energy slightly moves to the bottom of conduction band which would cause the growth of conductivity by increasing x. In a word, the InxGa1-xN compound can be achieved theoretically the adjustable Eg and photoelectric performance with x, which will be used in making various optoelectronic devices including solar cell and sensors.

scholarly journals Theoretical and experimental study on the electronic and optical properties of K0.5Rb0.5Pb2Br5: a promising laser host material

RSC Advances ◽  
2020 ◽  
Vol 10 (19) ◽  
pp. 11156-11164 ◽  
Author(s):  
Tuan V. Vu ◽  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
Dat D. Vo ◽  
Hien D. Tong ◽  
...  
Keyword(s):  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure ◽  
Host Material ◽  
First Principle ◽  
X Ray ◽  
Electronic And Optical Properties ◽  
First Principle Calculations

The data on the electronic structure and optical properties of bromide K0.5Rb0.5Pb2Br5 achieved by first-principle calculations and verified by X-ray spectroscopy measurements are reported.

Simulation within a DFT framework and experimental study of the valence-band electronic structure and optical properties of quaternary selenide Cu2HgSnSe4

Optik ◽  
2020 ◽  
Vol 202 ◽  
pp. 163709 ◽  
Author(s):  
Tuan V. Vu ◽  
A.A. Lavrentyev ◽  
B.V. Gabrelian ◽  
Hien D. Tong ◽  
V.A. Tkach ◽  
...  
Keyword(s):  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure ◽  
Valence Band

Impact of excess PbI2 on the structure and the temperature dependent optical properties of methylammonium lead iodide perovskites

2018 ◽  
Vol 6 (28) ◽  
pp. 7512-7519 ◽  
Author(s):  
Tobias Meier ◽  
Tanaji P. Gujar ◽  
Andreas Schönleber ◽  
Selina Olthof ◽  
Klaus Meerholz ◽  
...  
Keyword(s):  
Thin Films ◽  
Phase Transition ◽  
Optical Properties ◽  
Electronic Structure ◽  
Binding Energy ◽  
Direct Impact ◽  
Lead Iodide ◽  
Temperature Dependent ◽  
Methylammonium Lead Iodide ◽  
Transition Behaviour

Excess PbI2 in MAPbI3 thin films has no direct impact on the electronic structure but changes the temperature dependence of the exciton binding energy and the phase transition behaviour.

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