Ab‐Initio Investigation of the Electronic Structure, Optical Properties, and Lattice Dynamics of β‐Ag 2 Te

2018 ◽  
Vol 255 (12) ◽  
pp. 1800344
Author(s):  
Zakir Jahangirli ◽  
Oktay Alekperov ◽  
Qurban Eyyubov
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Lattice Dynamics

Electronic structure and optical properties of CuWO4: An ab initio study

2012 ◽  
Vol 63 ◽  
pp. 163-167 ◽  
Author(s):  
M.V. Lalić ◽  
Z.S. Popović ◽  
F.R. Vukajlović
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Study

Electronic structure and optical properties of the dialkali metal monotelluride compounds: Ab initio study

2019 ◽  
Vol 90 ◽  
pp. 77-86 ◽  
Author(s):  
Z. Souadia ◽  
A. Bouhemadou ◽  
S. Bin-Omran ◽  
R. Khenata ◽  
Y. Al-Douri ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al

2011 ◽  
Vol 509 (17) ◽  
pp. 5230-5237 ◽  
Author(s):  
Altaf Hussain ◽  
Sitaram Aryal ◽  
Paul Rulis ◽  
M. Arshad Choudhry ◽  
Jun Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

Electronic structure, optical properties, and lattice dynamics in atomically thin indium selenide flakes

Nano Research ◽  
2014 ◽  
Vol 7 (10) ◽  
pp. 1556-1568 ◽  
Author(s):  
Juan F. Sánchez-Royo ◽  
Guillermo Muñoz-Matutano ◽  
Mauro Brotons-Gisbert ◽  
Juan P. Martínez-Pastor ◽  
Alfredo Segura ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Lattice Dynamics ◽  
Indium Selenide

An ab-initio investigation of the electronic structure, chemical bonding and optical properties of Ba2HgS5 semiconductor

2019 ◽  
Vol 118 (1) ◽  
pp. e1587026 ◽  
Author(s):  
Sikander Azam ◽  
Saleem Ayaz Khan ◽  
R. Khenata ◽  
S. H. Naqib ◽  
A. Abdiche ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Chemical Bonding

scholarly journals Novel organic material with potential NLO application - electronic and spectroscopic properties

2008 ◽  
Vol 6 (4) ◽  
pp. 592-599 ◽  
Author(s):  
B.B. Koleva ◽  
T. Kolev ◽  
R. Nikolova ◽  
Y. Zagraniarsky ◽  
M. Spiteller
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ir Spectroscopy ◽  
Ab Initio ◽  
Organic Material ◽  
Spectroscopic Properties ◽  
Thermal Methods ◽  
Polarized Ir Spectroscopy ◽  
Cosy Nmr ◽  
Ab Initio And Dft

AbstractNovel dicyanoisophorone derivative, (E)-2-(3-(4-aminostyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile, is synthesized and its structure elucidated by means of conventional and linear polarized IR-spectroscopy of oriented colloids in nematic host, 1H, 13C, 1H, 1H-COSY NMR, HPLC tandem ESI MS-MS spectrometry, UV-VIS and thermal methods. Ab initio and DFT level of theory are used to theoretically obtain the electronic structure and optical properties, both in ground and exited state, of the compound.

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