Structural and electronic properties controllable of novel two-dimensional Janus Pd4S3Se3 monolayer by electric field and strain engineering

2021 ◽  
Author(s):  
K. Pham ◽  
Son-Tung Nguyen ◽  
C. Nguyen
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Strain Engineering ◽  
Two Dimensional ◽  
Structural And Electronic Properties

In this work, we investigate the structural and electronic properties of a newly-discovered two-dimensional Janus Pd$_4$S$_3$Se$_3$ monolayer, as well as the controllable structural and electronic properties under electric field and...

Strain engineering and electric field tunable of the electronic properties of two-dimensional ZnGeN2 monolayer

2021 ◽  
Author(s):  
Thi Nga Do ◽  
Son-Tung Nguyen ◽  
Khang Pham
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
First Principles ◽  
Strain Engineering ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Structural And Electronic Properties

In this work, by means of the first-principles calculations, we investigate the structural and electronic properties of a two-dimensional ZnGeN2 monolayer as well as the effects of strains and electric...

Tailoring the structural and electronic properties of an SnSe2/MoS2 van der Waals heterostructure with an electric field and the insertion of a graphene sheet

2019 ◽  
Vol 21 (39) ◽  
pp. 22140-22148 ◽  
Author(s):  
Tuan V. Vu ◽  
Nguyen V. Hieu ◽  
Le T. P. Thao ◽  
Nguyen N. Hieu ◽  
Huynh V. Phuc ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Graphene Sheet ◽  
2D Materials ◽  
Van Der Waals ◽  
Optoelectronic Devices ◽  
Two Dimensional ◽  
Van Der Waals Heterostructure ◽  
Two Dimensional Materials ◽  
Structural And Electronic Properties

van der Waals heterostructures by stacking different two-dimensional materials are being considered as potential materials for nanoelectronic and optoelectronic devices because they can show the most potential advantages of individual 2D materials.

scholarly journals Theoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe

2021 ◽  
Vol 37 (2) ◽  
Author(s):  
Nguyen Van Chuong ◽  
Nguyen Ngoc Hieu ◽  
Nguyen Van Hieu
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Structural And Electronic Properties ◽  
Direct Band ◽  
New Type

This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.

Structural and electronic properties of a van der Waals heterostructure based on silicene and gallium selenide: effect of strain and electric field

2018 ◽  
Vol 20 (44) ◽  
pp. 27856-27864 ◽  
Author(s):  
P. T. T. Le ◽  
Nguyen N. Hieu ◽  
Le M. Bui ◽  
Huynh V. Phuc ◽  
Bui D. Hoi ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Van Der Waals ◽  
Layer By Layer ◽  
Gallium Selenide ◽  
Two Dimensional ◽  
Parent Materials ◽  
Van Der Waals Heterostructure ◽  
Two Dimensional Materials ◽  
Structural And Electronic Properties

Combining van der Waals heterostructures by stacking different two-dimensional materials on top of each other layer-by-layer can enhance their desired properties and greatly extend the applications of the parent materials.

scholarly journals Computational insights into structural, electronic and optical characteristics of GeC/C2N van der Waals heterostructures: effects of strain engineering and electric field

RSC Advances ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 2967-2974 ◽  
Author(s):  
Hong T. T. Nguyen ◽  
Tuan V. Vu ◽  
Van Thinh Pham ◽  
Nguyen N. Hieu ◽  
Huynh V. Phuc ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
High Performance ◽  
Van Der Waals ◽  
Strain Engineering ◽  
Optical Characteristics ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
Two Dimensional Materials ◽  
Properties Of Materials

Vertical heterostructures from two or more than two two-dimensional materials are recently considered as an effective tool for tuning the electronic properties of materials and for designing future high-performance nanodevices.

scholarly journals Prediction of the structural and electronic properties of MoxTi1−xS2 monolayers via first principle simulations

2020 ◽  
Vol 10 ◽  
pp. 184798042095509
Author(s):  
Ankit Kumar Verma ◽  
Federico Raffone ◽  
Giancarlo Cicero
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Two Dimensional ◽  
Electron Hole ◽  
Effective Electron ◽  
Wide Range ◽  
Structural And Electronic Properties ◽  
Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides have gained great attention because of their peculiar physical properties that make them interesting for a wide range of applications. Lately, alloying between different transition metal dichalcogenides has been proposed as an approach to control two-dimensional phase stability and to obtain compounds with tailored characteristics. In this theoretical study, we predict the phase diagram and the electronic properties of Mo xTi1− xS2 at varying stoichiometry and show how the material is metallic, when titanium is the predominant species, while it behaves as a p-doped semiconductor, when approaching pure MoS2 composition. Correspondingly, the thermodynamically most stable phase switches from the tetragonal to the hexagonal one. Further, we present an example which shows how the proposed alloys can be used to obtain new vertical two-dimensional heterostructures achieving effective electron/hole separation.

Tunable electronic properties of the dynamically stable layered mineral Pt2HgSe3 (Jacutingaite)

2020 ◽  
Vol 22 (42) ◽  
pp. 24471-24479 ◽  
Author(s):  
Asadollah Bafekry ◽  
Catherine Stampfl ◽  
Chuong Nguyen ◽  
Mitra Ghergherehchi ◽  
Bohayra Mortazavi
Keyword(s):  
Density Functional Theory ◽  
Electric Field ◽  
Electronic Properties ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Biaxial Strain ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Out Of Plane ◽  
Strain Layer

Density functional theory calculations are performed in order to study the structural and electronic properties of monolayer Pt2HgSe3. Effects of uniaxial and biaxial strain, layer thickness, electric field and out-of-plane pressure on the electronic properties are systematically investigated.

scholarly journals A First-Principles Study of Nonlinear Elastic Behavior and Anisotropic Electronic Properties of Two-Dimensional HfS2

Nanomaterials ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 446
Author(s):  
Mahdi Faghihnasiri ◽  
Aidin Ahmadi ◽  
Samaneh Alvankar Golpayegan ◽  
Saeideh Garosi Sharifabadi ◽  
Ali Ramazani
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Electronic Band Structure ◽  
Hexagonal Phase ◽  
Strain Engineering ◽  
Elastic Behavior ◽  
Potential Candidate ◽  
Two Dimensional ◽  
Electronic Band ◽  
Wide Range

We utilize first principles calculations to investigate the mechanical properties and strain-dependent electronic band structure of the hexagonal phase of two dimensional (2D) HfS2. We apply three different deformation modes within −10% to 30% range of two uniaxial (D1, D2) and one biaxial (D3) strains along x, y, and x-y directions, respectively. The harmonic regions are identified in each deformation mode. The ultimate stress for D1, D2, and D3 deformations is obtained as 0.037, 0.038 and 0.044 (eV/Ang3), respectively. Additionally, the ultimate strain for D1, D2, and D3 deformation is obtained as 17.2, 17.51, and 21.17 (eV/Ang3), respectively. In the next step, we determine the second-, third-, and fourth-order elastic constants and the electronic properties of both unstrained and strained HfS2 monolayers are investigated. Our findings reveal that the unstrained HfS2 monolayer is a semiconductor with an indirect bandgap of 1.12 eV. We then tune the bandgap of HfS2 with strain engineering. Our findings reveal how to tune and control the electronic properties of HfS2 monolayer with strain engineering, and make it a potential candidate for a wide range of applications including photovoltaics, electronics and optoelectronics.

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