Electronic Structure of Wide-Band-Gap Chalcopyrites

1992 ◽  
Vol 281 ◽  
Author(s):  
A. Petukhov ◽  
W. R. L. Lambrecht ◽  
B. Segall
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Structural Parameters ◽  
Wide Band ◽  
Orbital Method ◽  
Wide Band Gap ◽  
Electronic Band ◽  
Lattice Constants ◽  
Cohesive Energies ◽  
Electronic Band Structures

ABSTRACTElectronic band structures, equilibrium lattice constants and structural parameters, cohesive energies, and bulk moduli calculated by means of the linear-muffin-tin orbital method are presented for BeSiN2, MgSiN2 and MgSiP2 chalcopyrites. The relationships of these compounds to the “parent” III-V compounds are clarified.

Electronic Structures of Wide Band-Gap (AlN)m(GaN)n[001] Superlattices

1995 ◽  
Vol 395 ◽  
Author(s):  
Z.-J. Tian ◽  
M.W.C. Dharma-Wardana ◽  
L.J. Lewis
Keyword(s):  
Band Gap ◽  
Electronic Band Structure ◽  
Wide Band ◽  
Orbital Method ◽  
Full Potential ◽  
Wide Band Gap ◽  
Electronic Band ◽  
Level Shifts ◽  
Direct Band ◽  
Near Term

ABSTRACTWide bandgap III-V nitrides, such as GaN and AlN, have become topical in the near-term technology of blue lasers. We report detailed electronic band-structure calculations for (AlN)m(GaN)n [001] zinc-blende superlattices (SL), with m + n ≤ 12, using the all-electron full-potential linear-muffin-tin-orbital method. For n ≥ 3, the SL are found to have a direct band gap. For n ≤ 2 and m ≥ 3, all the band gaps are indirect. In ultrathin SL, m ≤ 3 and n ≤ 2, only (m, n)= (3,1) is found to have an indirect gap. The band offsets are estimated by calculating the core-level shifts of nitrogen atoms in the central planes of the GaN and A1N layers. The calculated densities of states, electron- and hole- effective masses (m), etc., as a function of m and n, are reported; a remarkable dependence of m on the number of layers is revealed.

Flexible Modulation of Electronic Band Structures of Wide Band Gap GaN Semiconductors Using Bioinspired, Nonbiological Helical Peptides

2017 ◽  
Vol 28 (2) ◽  
pp. 1704034 ◽  
Author(s):  
Sven Mehlhose ◽  
Nataliya Frenkel ◽  
Hirotaka Uji ◽  
Sara Hölzel ◽  
Gesche Müntze ◽  
...  
Keyword(s):  
Band Gap ◽  
Wide Band ◽  
Wide Band Gap ◽  
Band Structures ◽  
Electronic Band ◽  
Helical Peptides ◽  
Electronic Band Structures

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
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