Electromagnetic plasmonic field of nanoparticles tune the band gap of two-dimensional semiconducting materials

2019 ◽  
Vol 7 (12) ◽  
pp. 3675-3687 ◽  
Author(s):  
Chinedu Obiakara ◽  
Mahmoud A. Mahmoud
Keyword(s):  
Electromagnetic Field ◽  
Optical Properties ◽  
Band Gap ◽  
Plasmonic Nanoparticles ◽  
Two Dimensional ◽  
Semiconducting Materials ◽  
Spin Orbital ◽  
2D Material ◽  
Spin Orbital Coupling

The electromagnetic field of the plasmonic nanoparticles altered the spin–orbital coupling in the MoS2 2D-material thus changed its optical properties.

Single layer lead iodide: computational exploration of structural, electronic and optical properties, strain induced band modulation and the role of spin–orbital-coupling

Nanoscale ◽  
2015 ◽  
Vol 7 (37) ◽  
pp. 15168-15174 ◽  
Author(s):  
Mei Zhou ◽  
Wenhui Duan ◽  
Ying Chen ◽  
Aijun Du
Keyword(s):  
Optical Properties ◽  
Electronic Structures ◽  
Single Layer ◽  
Layered Materials ◽  
Two Dimensional ◽  
Lead Iodide ◽  
Spin Orbital ◽  
Computational Exploration ◽  
Spin Orbital Coupling

Graphitic like layered materials exhibit intriguing electronic structures and thus the search for new types of two-dimensional (2D) monolayer materials is of great interest for developing novel nano-devices.

First-principles studies on electronic structures and optical properties of two-dimensional Sn1−xTi(Zr)xS2 alloys

2018 ◽  
Vol 32 (07) ◽  
pp. 1850092 ◽  
Author(s):  
Dandan Li ◽  
Juan Du ◽  
Qian Zhang ◽  
Congxin Xia ◽  
Shuyi Wei
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
First Principles ◽  
Electronic Structures ◽  
Threshold Energy ◽  
Ternary Alloys ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Experimental Conditions ◽  
Part Formula

Through first-principles calculations we study the electronic structures and optical properties of two-dimensional (2D) Sn[Formula: see text]Ti(Zr)[Formula: see text]S2 alloys. The results indicate that the band gap value of Sn[Formula: see text]Ti(Zr)[Formula: see text]S2 alloys is decreased continuously when Ti(Zr) concentration is increased, which is very beneficial to optoelectronic devices applications. Moreover, the static dielectric constant is increased when the Ti(Zr) concentration is increased in the 2D Sn[Formula: see text]Ti(Zr)[Formula: see text]S2 alloys. In addition, we also calculate the imaginary part [Formula: see text] dispersion of Sn[Formula: see text]Ti(Zr)[Formula: see text]S2 alloys along the plane with different Ti(Zr) concentrations. The threshold energy values decrease with increasing Ti(Zr) concentrations in the Sn[Formula: see text]Ti(Zr)[Formula: see text]S2 ternary alloys. Moreover, the calculations of formation energy also indicate that these 2D alloys can be fabricated under some experimental conditions. These results suggest that Ti(Zr) substituting Sn atom is an efficient way to tune the band gap and optical properties of 2D SnS2 nanosheets.

scholarly journals Diffraction of Light by a Two-Dimensional Lattice of Spheres

2012 ◽  
Vol 2012 ◽  
pp. 1-10
Author(s):  
Bernard de Dormale ◽  
Vo-Van Truong
Keyword(s):  
Electromagnetic Field ◽  
Optical Properties ◽  
Multipole Expansion ◽  
Two Dimensional ◽  
Dimensional Lattice ◽  
Theoretical Approaches ◽  
Diffraction Of Light ◽  
Potential Applications ◽  
Computational Procedures ◽  
A New Technique

Two-dimensional arrays of particles are of great interest because of their very characteristic optical properties and numerous potential applications. Although a variety of theoretical approaches are available for the description of their properties, methods that are accurate and convenient for computational procedures are always sought. In this work, a new technique to study the diffraction of a monochromatic electromagnetic field by a two-dimensional lattice of spheres is presented. The method, based on Fourier series, can take into account an arbitrary number of terms in the multipole expansion of the field scattered by each sphere. This method has the advantage of leading to simple formulas that can be readily programmed and used as a powerful tool for nanostructure characterization.

Sonication-assisted liquid-phase exfoliated α-GeTe: a two-dimensional material with high Fe3+ sensitivity

Nanoscale ◽  
2018 ◽  
Vol 10 (34) ◽  
pp. 15989-15997 ◽  
Author(s):  
Panpan Zhang ◽  
Fulai Zhao ◽  
Peng Long ◽  
Yu Wang ◽  
Yuchen Yue ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Band Gap ◽  
Two Dimensional ◽  
Semiconducting Materials ◽  
Liquid Phase Exfoliation

Few-layer and monolayer α-GeTe, a new member to the group of IV–VI 2D semiconducting materials with a suitable band gap, was prepared by sonication-assisted liquid phase exfoliation.

scholarly journals Predicting the strain-mediated topological phase transition in 3D cubic ThTaN3

2018 ◽  
Vol 9 ◽  
pp. 1399-1404 ◽  
Author(s):  
Chunmei Zhang ◽  
Aijun Du
Keyword(s):  
Band Gap ◽  
Topological Insulator ◽  
Density Functional ◽  
Compressive Strain ◽  
Fermi Velocity ◽  
Spin Orbital ◽  
Functional Theory ◽  
Topological Phase Transition ◽  
Potential Applications ◽  
Spin Orbital Coupling

The cubic ThTaN3 compound has long been known as a semiconductor with a band gap of approximately 1 eV, but its electronic properties remain largely unexplored. By using density functional theory, we find that the band gap of ThTaN3 is very sensitive to the hydrostatic pressure/strain. A Dirac cone can emerge around the Γ point with an ultrahigh Fermi velocity at a compressive strain of 8%. Interestingly, the effect of spin–orbital coupling (SOC) is significant, leading to a band gap reduction of 0.26 eV in the ThTaN3 compound. Moreover, the strong SOC can turn ThTaN3 into a topological insulator with a large inverted gap up to 0.25 eV, which can be primarily attributed to the inversion between the d-orbital of the heavy element Ta and the p-orbital of N. Our results highlight a new 3D topological insulator with strain-mediated topological transition for potential applications in future spintronics.

Prediction of spin–orbital coupling effects on the electronic structure of two dimensional van der Waals heterostructures

2015 ◽  
Vol 17 (46) ◽  
pp. 31253-31259 ◽  
Author(s):  
Baiqing You ◽  
Xiaocha Wang ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
2D Materials ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Coupling Effects ◽  
Van Der Waals Heterostructures ◽  
Spin Orbital ◽  
First Principles Study ◽  
Spin Orbital Coupling

We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials.

scholarly journals Stable sandwich structures of two-dimensional iron borides FeBxalloy: a first-principles calculation

RSC Advances ◽  
2017 ◽  
Vol 7 (48) ◽  
pp. 30320-30326 ◽  
Author(s):  
Shao-Gang Xu ◽  
Yu-Jun Zhao ◽  
Xiao-Bao Yang ◽  
Hu Xu
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
First Principles ◽  
Sandwich Structures ◽  
Wide Band ◽  
First Principles Calculation ◽  
Two Dimensional ◽  
Wide Band Gap ◽  
Electronic And Optical Properties ◽  
Wide Band Gap Semiconductors

Multilayer iron borides FeBx(x= 4, 6, 8, 10) are wide-band-gap semiconductors; the electronic and optical properties of these semiconductors may be modulated by biaxial strains.

Two-dimensional scandium-based carbides (MXene): Band gap modulation and optical properties

2017 ◽  
Vol 712 ◽  
pp. 752-759 ◽  
Author(s):  
Jianxin Guo ◽  
Yong Sun ◽  
Baozhong Liu ◽  
Qingrui Zhang ◽  
Qiuming Peng
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Two Dimensional ◽  
Band Gap Modulation

scholarly journals Electronic and Optical Properties of Two-Dimensional Tellurene: From First-Principles Calculations

Nanomaterials ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 1075 ◽  
Author(s):  
David K. Sang ◽  
Bo Wen ◽  
Shan Gao ◽  
Yonghong Zeng ◽  
Fanxu Meng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Density Functional ◽  
Energy Gap ◽  
Quantum Confinement Effect ◽  
Full Potential ◽  
Two Dimensional ◽  
Electronic And Optical Properties ◽  
Layer Number ◽  
Layer Structures

Tellurene is a new-emerging two-dimensional anisotropic semiconductor, with fascinating electric and optical properties that differ dramatically from the bulk counterpart. In this work, the layer dependent electronic and optical properties of few-layer Tellurene has been calculated with the density functional theory (DFT). It shows that the band gap of the Tellurene changes from direct to indirect when layer number changes from monolayer (1 L) to few-layers (2 L–6 L) due to structural reconstruction. Tellurene also has an energy gap that can be tuned from 1.0 eV (1 L) to 0.3 eV (6 L). Furthermore, due to the interplay of spin–orbit coupling (SOC) and disappearance of inversion symmetry in odd-numbered layer structures resulting in the anisotropic SOC splitting, the decrease of the band gap with an increasing layer number is not monotonic but rather shows an odd-even quantum confinement effect. The optical results in Tellurene are layer dependent and different in E ⊥ C and E || C directions. The correlations between the structure, the electronic and optical properties of the Tellurene have been identified. Despite the weak nature of interlayer forces in their structure, their electronic and optical properties are highly dependent on the number of layers and highly anisotropic. These results are essential in the realization of its full potential and recommended for experimental exploration.

Synthesis, properties, and optoelectronic applications of two-dimensional MoS2 and MoS2-based heterostructures

2018 ◽  
Vol 47 (16) ◽  
pp. 6101-6127 ◽  
Author(s):  
Hongmei Wang ◽  
Chunhe Li ◽  
Pengfei Fang ◽  
Zulei Zhang ◽  
Jin Zhong Zhang
Keyword(s):  
Optical Properties ◽  
Molybdenum Disulfide ◽  
Light Harvesting ◽  
Two Dimensional ◽  
Electronic And Optical Properties ◽  
2D Material ◽  
Synthesis Properties ◽  
Optoelectronic Applications

As a two-dimensional (2D) material, molybdenum disulfide (MoS2) exhibits unique electronic and optical properties useful for a variety of optoelectronic applications including light harvesting.

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