scholarly journals Electronic structural critique of interesting thermal and optical properties of C17Ge germagraphene

2020 ◽  
Vol 22 (16) ◽  
pp. 8606-8615 ◽  
Author(s):  
Sujoy Datta ◽  
Debnarayan Jana
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Thermal Properties ◽  
Work Function ◽  
Hall Conductivity ◽  
Two Dimensional ◽  
Spin Hall Conductivity

We report a theoretical attempt to understand the involvement of the electronic structure in producing spin Hall conductivity and in determining the optical and thermal properties of germagraphene, a buckled two-dimensional material with low work function.

Exploration on performance of two-dimensional GaN photocathodes with uniform-doping and variable-doping structure

2021 ◽  
Author(s):  
Liangbo Huang ◽  
Jian Tian ◽  
Lei Liu ◽  
Ruxiao Di ◽  
Zihao Zhu
Keyword(s):  
Optical Properties ◽  
Work Function ◽  
Formation Energy ◽  
Electron Transition ◽  
Two Dimensional ◽  
Density Of State ◽  
Electron Escape ◽  
The Stability ◽  
Function Density ◽  
Uniform Doping

In this paper, the properties of two-dimensional (2D) gallium nitride (GaN) photocathodes with a uniform doping and variable doping structure are studied by using Mg as a doping element based on first principles. The stability, bandstructure, work function, density of state and optical properties of the GaN bilayer and GaN trilayer in two-doped ways are investigated. The results show that formation energy of variable doping structure is less than that of the uniform doping structure, which means that the variable doping structure is more stable. At the same time, the formation energy increases with increase of layers. The pristine GaN bilayer has an indirect bandgap, while the doped GaN bilayer transforms into a direct bandgap. The impurity levels appear in a forbidden band of doped GaN trilayers, which is favorable for electron transition. The results of work function reveal that variable doping structure has lower vacuum barriers and more electron escape numbers, which proves that it can improve the quantum efficiency of photocathodes. Finally, the analysis of optical properties shows that the uniform doping structure has better optical properties than that of the variable doping structure.

scholarly journals Two Dimensional β-InSe with Layer-Dependent Properties: Band Alignment, Work Function and Optical Properties

Nanomaterials ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 82 ◽  
Author(s):  
David K. Sang ◽  
Huide Wang ◽  
Meng Qiu ◽  
Rui Cao ◽  
Zhinan Guo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Work Function ◽  
High Performance ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Strong Dependence ◽  
Band Alignment ◽  
Thickness Variation ◽  
Two Dimensional ◽  
Electronic Band

Density functional theory calculations of the layer (L)-dependent electronic band structure, work function and optical properties of β-InSe have been reported. Owing to the quantum size effects (QSEs) in β-InSe, the band structures exhibit direct-to-indirect transitions from bulk β-InSe to few-layer β-InSe. The work functions decrease monotonically from 5.22 eV (1 L) to 5.0 eV (6 L) and then remain constant at 4.99 eV for 7 L and 8 L and drop down to 4.77 eV (bulk β-InSe). For optical properties, the imaginary part of the dielectric function has a strong dependence on the thickness variation. Layer control in two-dimensional layered materials provides an effective strategy to modulate the layer-dependent properties which have potential applications in the next-generation high performance electronic and optoelectronic devices.

Effect of thickness on the electronic structure and optical properties of quasi two-dimensional perovskite CsPbBr3 nanoplatelets

2021 ◽  
pp. 118392
Author(s):  
Qiran Chen ◽  
Zhaojin Wang ◽  
Zhigang Song ◽  
Weijun Fan ◽  
Kai Wang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Two Dimensional
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