Surface electronic structure of the wide band gap topological insulator 
PbBi4Te4Se3

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.

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

Applied Physics Letters ◽

10.1063/1.4947466 ◽

2016 ◽

Vol 108 (17) ◽

pp. 172402 ◽

Cited By ~ 7

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

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Effective mass representation in the presence of spin-orbit interaction and magnetic field: Electronic structure of wide band-gap semiconductors

10.1063/1.5050729 ◽

2018 ◽

Cited By ~ 1

Author(s):

Gouri S. Tripathi ◽

Subrat K. Shadangi

Keyword(s):

Magnetic Field ◽

Electronic Structure ◽

Band Gap ◽

Effective Mass ◽

Wide Band ◽

Orbit Interaction ◽

Spin Orbit ◽

Wide Band Gap ◽

Spin Orbit Interaction ◽

Wide Band Gap Semiconductors

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

Crystal Growth & Design ◽

10.1021/acs.cgd.9b00747 ◽

2020 ◽

Vol 20 (3) ◽

pp. 1422-1433 ◽

Cited By ~ 1

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

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First Principles Study of the Electronic Structure of In1-xGaxN

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.502.144 ◽

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.

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