Theoretical Characterization of the Electronic and Optical Properties of Beryllium and Nitrogen Co-Doped Graphene: A Proposed P-Type Semiconductor for Nanoelectronic and Optoelectronic Applications

Abstract We use FP-LAPW method to study structural, electronic, and optical properties of the pure and Y-doped SnO2. The results show that by Y doping of SnO2 the band gaps are broadened, and still direct at Γ-point. For pure SnO2 material, the obtained values of the direct band gap are 0.607 eV for GGA-PBE and 2.524 eV for GGATB-mBJ, respectively. This later is in good agreement with the experimental data and other theoretical results. The Fermi level shifts into the valence band and exhibits p-type semiconductor character owing mainly from the orbital 4d-Y. Additionally, the calculated optical properties reveal that all concentrations are characterized by low reflectivity and absorption via wavelength λ (nm) in the visible light and near-infrared (NIR) ranges, which leads to a redshift in the optical transparency.

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Exploration on electronic and optical properties of two-dimensional GaN-doped with Be, Mg, Zn

International Journal of Modern Physics B ◽

10.1142/s0217979220501957 ◽

2020 ◽

Vol 34 (20) ◽

pp. 2050195

Author(s):

Gang Li ◽

Lei Liu ◽

Jian Tian

Keyword(s):

Optical Properties ◽

Band Structure ◽

Density Of States ◽

First Principles ◽

High Energy ◽

Low Energy ◽

Two Dimensional ◽

Electronic And Optical Properties ◽

Type Semiconductor ◽

P Type

To explore the variation on p-type-doped two-dimensional GaN, we calculate electronic and optical properties of buckled two-dimensional GaN-doped with p-type doping elements including Be, Mg and Zn atom by using first-principles. The results indicate that doping process of two-dimensional GaN after Be is most easily compared with Mg- and Zn-doped models. Band of doped two-dimensional GaN moves toward high energy end and it becomes a p-type semiconductor from the results of band structure and density of states, which may be caused by orbitals hybridization from dopants. Band gap and work function of doped two-dimensional GaN are both declined, which is beneficial for escape of electrons. Analysis of optical properties shows that they are sensitive and adjustable in doped two-dimensional GaN. Doping of Be, Mg and Zn atoms would have an important effect on optical characteristics of two-dimensional GaN at low-energy region.

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Quasiparticle theoretical characterization of electronic and optical properties of the photocatalytic material Ti3−δO4N

Journal of Materials Research ◽

10.1557/jmr.2015.185 ◽

2015 ◽

Vol 30 (19) ◽

pp. 2934-2939 ◽

Cited By ~ 2

Author(s):

Mauro Ribeiro

Keyword(s):

Optical Properties ◽

Electronic And Optical Properties ◽

Theoretical Characterization ◽

Photocatalytic Material ◽

Image Position

Abstract

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First-principles study of the electronic and optical properties of nitrogen and gold co-doped graphene

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.106363 ◽

2020 ◽

Vol 139 ◽

pp. 106363

Author(s):

Jian-Ning Zhang ◽

Ling Ma ◽

Min Zhang ◽

Liang-Cai Ma ◽

Jian-Min Zhang

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Doped Graphene ◽

Co Doped

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Electronic and Optical Properties of BeO Co-doped 2D GaN using First-principles

2020 11th International Conference on Electrical and Computer Engineering (ICECE) ◽

10.1109/icece51571.2020.9393143 ◽

2020 ◽

Author(s):

Sakib Hasan Khan ◽

Rafiqul Islam ◽

Tanvir Hasan

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

Co Doped

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Synthesis and characterization of size-controlled silver nanowires

Physical Sciences Reviews ◽

10.1515/psr-2017-0084 ◽

2018 ◽

Vol 3 (11) ◽

Author(s):

Pei Zhang ◽

Shudong Lin ◽

Jiwen Hu

Keyword(s):

Optical Properties ◽

Silver Nanowires ◽

Synthetic Methods ◽

Synthesis And Characterization ◽

Electronic And Optical Properties ◽

The Past ◽

Crucial Effect ◽

Recent Developments ◽

Size Controlled

Abstract Silver nanowires (AgNWs) have attracted attentions form both academia and industry due to their outstanding electronic and optical properties. The AgNW-based devices for various uses were invented in recent years. It is well known that the sizes of AgNWs have a crucial effect on the performance of AgNW-based devices. However, how to synthesize AgNWs with controlled sizes is still unsolved. Researchers reported many methods to synthesize AgNWs with different sizes in the past decade. However, a review that focuses on the synthetic methods of AgNWs is very rare. The aim of this review is to summarize the recent developments that have been achieved with AgNWs, and many procedure details and results and discussions will be provided for practical use. Graphical Abstract:

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