scholarly journals Ultra-violet to visible band gap engineering of cubic halide KCaCl3 perovskite under pressure for optoelectronic applications: insights from DFT

RSC Advances ◽  
2021 ◽  
Vol 11 (58) ◽  
pp. 36367-36378
Author(s):  
Muhtasim Ali Haq ◽  
Md Saiduzzaman ◽  
Tariqul Islam Asif ◽  
Ismile Khan Shuvo ◽  
Khandaker Monower Hossain
Keyword(s):  
Band Gap ◽  
Visible Region ◽  
Ultra Violet ◽  
Optoelectronic Device ◽  
Electronic Band ◽  
Band Gap Engineering ◽  
Visible Band ◽  
Device Efficiency ◽  
Electronic Band Gap ◽  
Optoelectronic Applications

The electronic band gap shrinks from the UV to visible region of cubic halide KCaCl3 perovskite under pressure, making it easier to move electrons from the VB to the CB, which improves optoelectronic device efficiency.

Structural Band Gap Engineering

1997 ◽  
Vol 486 ◽  
Author(s):  
Alexander A. Demkov ◽  
Otto F. Sankey ◽  
M. Fuentes
Keyword(s):  
Molecular Dynamics ◽  
Band Gap ◽  
Significant Variation ◽  
Quantum Molecular Dynamics ◽  
Electronic Band ◽  
Band Gap Engineering ◽  
Novel Approach ◽  
Electronic Band Gap ◽  
Energy Quantum ◽  
Dynamics Method

AbstractIn this paper we discuss a novel approach to the band gap engineering of semiconductors Si, Ge, GaAs and AIN. We suggest that nanoporous polymorphs of these materials may exist which would offer a significant variation of the electronic band gap. Structurally, nanoporous semiconductors are related to the zeolitic nets, and a systematic procedure of generating these structures from the (4;2) nets is described. We use the ab initio total energy quantum molecular dynamics method Fireball96 to investigate the energetics and the electronic properties of these nanoporous or “expanded” semiconductor phases.

Tailored Electronic Band Gap and Valance Band Edge of Nickel Oxide via p-Type Incorporation

2021 ◽  
Vol 125 (13) ◽  
pp. 7495-7501
Author(s):  
Gang Wang ◽  
Jinju Zheng ◽  
Boyi Xu ◽  
Chaonan Zhang ◽  
Yue Zhu ◽  
...  
Keyword(s):  
Nickel Oxide ◽  
Band Gap ◽  
Band Edge ◽  
Electronic Band ◽  
Electronic Band Gap ◽  
P Type

scholarly journals Evidence of direct electronic band gap in two-dimensional van der Waals indium selenide crystals

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Hugo Henck ◽  
Debora Pierucci ◽  
Jihene Zribi ◽  
Federico Bisti ◽  
Evangelos Papalazarou ◽  
...  
Keyword(s):  
Band Gap ◽  
Van Der Waals ◽  
Indium Selenide ◽  
Two Dimensional ◽  
Electronic Band ◽  
Electronic Band Gap

Pressure Dependence of the Electronic Band Gap in 6HSic

1996 ◽  
Vol 198 (1) ◽  
pp. 81-86 ◽  
Author(s):  
F. Engelbrecht ◽  
J. Zeman ◽  
G. Wellenhofer ◽  
C. Peppermüller ◽  
R. Helbig ◽  
...  
Keyword(s):  
Band Gap ◽  
Pressure Dependence ◽  
Electronic Band ◽  
Electronic Band Gap

Electronic Band Gap Reduction in Manganese Carbodiimide: MnNCN

2013 ◽  
Vol 117 (24) ◽  
pp. 12754-12761 ◽  
Author(s):  
Teak D. Boyko ◽  
Robert J. Green ◽  
Richard Dronskowski ◽  
Alexander Moewes
Keyword(s):  
Band Gap ◽  
Electronic Band ◽  
Electronic Band Gap

scholarly journals Bandgap engineering of few-layered MoS2 with low concentrations of S vacancies

RSC Advances ◽  
2020 ◽  
Vol 10 (27) ◽  
pp. 15702-15706 ◽  
Author(s):  
Wen He ◽  
Jia Shi ◽  
Hongkang Zhao ◽  
Hui Wang ◽  
Xinfeng Liu ◽  
...  
Keyword(s):  
Band Gap ◽  
Molybdenum Disulfide ◽  
Bandgap Engineering ◽  
Band Gap Engineering ◽  
Low Concentrations ◽  
Optoelectronic Applications ◽  
Layered Mos2

Band-gap engineering of molybdenum disulfide (MoS2) by introducing vacancies is of particular interest owing to the potential optoelectronic applications.

Tuning the binding energy of excitons in the MoS2 monolayer by molecular functionalization and defective engineering

2020 ◽  
Vol 22 (21) ◽  
pp. 11936-11942
Author(s):  
Kangli Wang ◽  
Beate Paulus
Keyword(s):  
Absorption Spectrum ◽  
Binding Energy ◽  
Optical Absorption ◽  
Band Gap ◽  
Optical Absorption Spectrum ◽  
Exciton Binding Energy ◽  
Electronic Band ◽  
Mos2 Monolayer ◽  
Electronic Band Gap

Using the DFT-GW-BSE method, we analyze how the electronic band gap, optical absorption spectrum and exciton binding energy of the MoS2 monolayer are influenced by NO and C3H3N3 molecules and S-defects.

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