scholarly journals Surface electronic structure of the wide band gap topological insulator PbBi4Te4Se3

2019 ◽  
Vol 100 (19) ◽  
Author(s):  
I. A. Shvets ◽  
I. I. Klimovskikh ◽  
Z. S. Aliev ◽  
M. B. Babanly ◽  
F. J. Zúñiga ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Topological Insulator ◽  
Wide Band ◽  
Wide Band Gap ◽  
Surface Electronic Structure

First principles study of defects in solid electrolyte lithium thiophosphate Li7P3S11

2011 ◽  
Vol 1331 ◽  
Author(s):  
Ka Xiong ◽  
Weichao Wang ◽  
Roberto Longo Pazos ◽  
Kyeongjae Cho
Keyword(s):  
Electronic Structure ◽  
Solid Electrolyte ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Wide Band ◽  
Ion Conductivity ◽  
First Principles Calculations ◽  
Wide Band Gap ◽  
Formation Energies

ABSTRACTWe investigate the electronic structure of interstitial Li and Li vacancy in Li7P3S11 by first principles calculations. We find that Li7P3S11 is a good insulator with a wide band gap of 3.5 eV. We find that the Li vacancy and interstitial Li+ ion do not introduce states in the band gap hence they do not deteriorate the electronic properties of Li7P3S11. The calculated formation energies of Li vacancies are much larger than those of Li interstitials, indicating that the ion conductivity may arise from the migration of interstitial Li.

scholarly journals Electronic structure study of wide band gap magnetic semiconductor (La0.6Pr0.4)0.65Ca0.35MnO3 nanocrystals in paramagnetic and ferromagnetic phases

2016 ◽  
Vol 108 (17) ◽  
pp. 172402 ◽  
Author(s):  
G. D. Dwivedi ◽  
Amish G. Joshi ◽  
Shiv Kumar ◽  
H. Chou ◽  
K. S. Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Magnetic Semiconductor ◽  
Wide Band ◽  
Structure Study ◽  
Wide Band Gap

Effect of Titanium Induced Chemical Inhomogeneity on Crystal Structure, Electronic Structure, and Optical Properties of Wide Band Gap Ga2O3

2020 ◽  
Vol 20 (3) ◽  
pp. 1422-1433 ◽  
Author(s):  
Mallesham Bandi ◽  
Vishal Zade ◽  
Swadipta Roy ◽  
Aruna N. Nair ◽  
Sierra Seacat ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
Wide Band ◽  
Chemical Inhomogeneity ◽  
Wide Band Gap

First Principles Study of the Electronic Structure of In1-xGaxN

2012 ◽  
Vol 502 ◽  
pp. 144-148
Author(s):  
Ling Ling Mi ◽  
Guo Zhong Zhao
Keyword(s):  
Electronic Structure ◽  
Energy Level ◽  
Band Gap ◽  
Valence Band ◽  
Density Functional ◽  
Wide Band ◽  
Blue Shift ◽  
High Energy ◽  
Wide Band Gap ◽  
High Energy Level

The In1-xGaxN electronic structure is calculated by First principle based on density functional theory. The energy band structures and density of state is calculated. It can be found that the hybridization of the Ga4s4p and N2p，In5s5p is stronger than that of N2p，In5s5p in the undoped system. And it leads to the valence band moving towards to low energy level and the conduction band moving to the high energy level. Correspondingly, we can find a larger band gap than that of undoped InN. In conclusion, the wide band gap lead to the blue shift and Moss-Burstein effect occurs near the top valence band.

Electronic structure of wide-band-gap ternary pnictides with the chalcopyrite structure

1994 ◽  
Vol 49 (7) ◽  
pp. 4549-4558 ◽  
Author(s):  
A. G. Petukhov ◽  
W. R. L. Lambrecht ◽  
B. Segall
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Wide Band ◽  
Chalcopyrite Structure ◽  
Wide Band Gap

Electronic structure of C2N2X (X = O, NH, CH2): Wide band gap semiconductors

2012 ◽  
Vol 112 (1) ◽  
pp. 013537 ◽  
Author(s):  
Kenichi Takarabe ◽  
Masaya Sougawa ◽  
Hiroaki Kariyazaki ◽  
Koji Sueoka
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Wide Band ◽  
Wide Band Gap ◽  
Wide Band Gap Semiconductors
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