First-principles investigations of electron-hole inclusion effects on optoelectronic properties of Bi 2 Te 3 , a topological insulator for broadband photodetector

2017 ◽  
Vol 520 ◽  
pp. 69-75 ◽  
Author(s):  
Abdullahi Lawal ◽  
A. Shaari ◽  
R. Ahmed ◽  
Norshila Jarkoni
Keyword(s):  
Topological Insulator ◽  
First Principles ◽  
Optoelectronic Properties ◽  
Electron Hole

First-principles prediction of inversion-asymmetric topological insulator in hexagonal BiPbH monolayer

2016 ◽  
Vol 4 (37) ◽  
pp. 8750-8757 ◽  
Author(s):  
Yi-zhen Jia ◽  
Wei-xiao Ji ◽  
Chang-wen Zhang ◽  
Ping Li ◽  
Miao-juan Ren ◽  
...  
Keyword(s):  
Topological Insulator ◽  
First Principles ◽  
Condensed Matter ◽  
Spin Splitting ◽  
Condensed Matter Physics ◽  
Rashba Spin ◽  
Rashba Spin Splitting

Band topology and Rashba spin splitting (RSS) are two extensively explored yet exotic properties in condensed matter physics.

First-Principles Study on Electronic and Optical Properties in Pr-Doped Anatase TiO2

2014 ◽  
Vol 924 ◽  
pp. 260-268 ◽  
Author(s):  
Hao Chen ◽  
Lan Fang Yao ◽  
Song Lin Yang ◽  
Ya Qin Wang ◽  
Xing Liang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
First Principles ◽  
Energy Gap ◽  
Impurity Band ◽  
Anatase Tio2 ◽  
Electron Hole ◽  
Light Region ◽  
Overlap Population ◽  
Calculation Results

The crystal structures, band structures, density of states, charge density, overlap population and optical properties of pure anatase TiO2 and Pr-doped anatase TiO2 were studied by using the plane-wave pseudopotential method based on the first-principles. After Pr doping, the valence band and the conduction band moved down and became dense, energy gap became narrow and a impurity band which consists of Pr 4f states appeared. And the dipole moment got improved, which is good for the separate of the electron-hole pairs. These effectively overcome two huge shortcomings of TiO2. Besides, Pr-doped anatase TiO2 produced more carriers which have good transport properties and the absorption spectra of Pr-O bond appear in the region that the wavelength is longer. The calculation results of optical properties show that the absorption edge occured red shift, which means the photocatalytic activity of anatase TiO2 got remarkable improved during visible-light region. This conforms to the previous analysis. So the photocatalytic activity of anatase TiO2 got remarkable improved after Pr doping.

First-principles investigation on the thickness-dependent optoelectronic properties of two-dimensional perovskite BA2SnI4

2021 ◽  
pp. 413070
Author(s):  
Meiping Liu ◽  
Yong Tang ◽  
Xiangli Zhong ◽  
Zheng Li ◽  
Yingtang Zhou ◽  
...  
Keyword(s):  
First Principles ◽  
Optoelectronic Properties ◽  
Two Dimensional

scholarly journals Optoelectronic Properties of Zinc Oxide: A First-Principles Investigation Using the Tran-Blaha Modified Becke-Johnson Potential

2019 ◽  
Vol 256 (4) ◽  
pp. 1800380 ◽  
Author(s):  
Rosely M. V. S. Almeida ◽  
Andreia Luisa da Rosa ◽  
Thomas Frauenheim ◽  
Jailton S. de Almeida
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Optoelectronic Properties
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