First-principle study of the ferroelectricity and optical properties of the BaBi2Ta2O9

2007 ◽  
Vol 438 (1-2) ◽  
pp. 25-29 ◽  
Author(s):  
Bin Xu ◽  
Lin Yi
Keyword(s):  
Optical Properties ◽  
First Principle

Electronic and optical properties of O-doped porous boron nitride: A first principle study

2021 ◽  
Vol 299 ◽  
pp. 122139
Author(s):  
Yan Liu ◽  
Lanlan Li ◽  
Qiaoling Li ◽  
Xinghua Zhang ◽  
Zunming Lu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Boron Nitride ◽  
First Principle ◽  
Electronic And Optical Properties

scholarly journals Excitonic effects in the optical spectra of Li2SiO3 compound

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Nguyen Thi Han ◽  
Vo Khuong Dien ◽  
Ming-Fa Lin
Keyword(s):  
Optical Properties ◽  
State Of The Art ◽  
Plasmon Mode ◽  
First Principle ◽  
Response Behavior ◽  
Electronic And Optical Properties ◽  
Physical Chemical ◽  
Excitonic Effects ◽  
Energy Loss Functions ◽  
Excitonic Effect

AbstractLi2SiO3 compound exhibits unique electronic and optical properties. The state-of-the-art analyses, which based on first-principle calculations, have successfully confirmed the concise physical/chemical picture and the orbital bonding in Li–O and Si–O bonds. Especially, the unusual optical response behavior includes a large red shift of the onset frequency due to the extremely strong excitonic effect, the polarization of optical properties along three-directions, various optical excitations structures and the most prominent plasmon mode in terms of the dielectric functions, energy loss functions, absorption coefficients and reflectance spectra. The close connections of electronic and optical properties can identify a specific orbital hybridization for each distinct excitation channel. The presented theoretical framework will be fully comprehending the diverse phenomena and widen the potential application of other emerging materials.

Ag@ZnO core-shell nanoparticles study by first principle: The structural, magnetic and optical properties

2016 ◽  
Vol 244 ◽  
pp. 181-186 ◽  
Author(s):  
Hai-Xia Cheng ◽  
Xiao-Xu Wang ◽  
Yao-Wen Hu ◽  
Hong-Quan Song ◽  
Jin-Rong Huo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Core Shell ◽  
First Principle ◽  
Shell Nanoparticles ◽  
Core Shell Nanoparticles

First Principle Study on Optical Properties of Tri-Group Doped (6,6) SiC Nanotubes

2018 ◽  
Vol 35 (11) ◽  
pp. 117801 ◽  
Author(s):  
Pei Gong ◽  
Ya-Lin Li ◽  
Ya-Hui Jia ◽  
Xiao-Yong Fang
Keyword(s):  
Optical Properties ◽  
First Principle
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