Modeling and Simulation of the Electronic Properties in Graphene Nanoribbons of Varying Widths and Lengths Using Tight-Binding Hamiltonian

Goh, Edric; Chin, Huei Chaeng; Wong, Kien Liong; Indra, Izzat Safwan Bin; Tan, Michael Loong Peng

doi:10.1166/jno.2018.2206

Cited by 13 publications

(9 citation statements)

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“…The main target in developing the simulation tool is to allow the user to observe the atomic structure, width plot and missing atoms of graphene. The development of the simulation tool is based on the previous modelling work [8], where an ideal GNR model is introduced using the numeric computational approach on MATLAB. Schrödinger's equation is timeindependent as written in general form:…”

Section: Methodsmentioning

confidence: 99%

“…For a one dimensional system with three hydrogen atoms and 1s orbital wave function, the Hamiltonian matrix of the three hydrogen atoms can be constructed as (2), where u11, u22 and u33 represent the 1s orbital wave function. The term u11, u22 and u33 are the self-interacting energies, while u12, u21, u23 and u32 are the interacting energies between respective nearest neighbour atoms [8]. The single vacancy defect inside the atomic structure of GNR can be introduced inside the Hamiltonian matrix by removing the interacting energy at the defect location.…”

Section: Methodsmentioning

confidence: 99%

“…Our ongoing research on graphene FET has led to the development of this simulation tools in vacancy defect. In our previous work [8], a tight-binding model of GNR is created by collapsing quasi-2D structure of GNR into equivalent 1D matrix system via alpha and beta matrices, which describes the interactions in the unit cell and between unit cells respectively. The tight-binding model is sufficient and accurate enough for hydrogen-passivated-edge GNR, and Hartree's assumptions are valid due to the small size of carbon atoms.…”

Section: Existing Graphene Fet Modelsmentioning

confidence: 99%

“…GNR can be categorized into two different structures with different electronic properties [8]. The two structures of the GNR are armchair-edge graphene nanoribbon (AGNR) and zigzag-edge graphene nanoribbon (ZGNR) [9].…”

Section: Graphene Nanoribbon Structurementioning

confidence: 99%

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Graphene Nanoribbon Simulator of Vacancy Defects On Electronic Structure

Wong

Mahadzir

Chong

et al. 2018

IJEEI

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Graphene Nanoribbon Simulator (GNRSIM) is developed using MATLAB Graphical User Interface Development Environment to study the electronics properties of graphene nanoribbons (GNRs). The main focus of this research is the simulation effects of single vacancy 1 in graphene nanoribbons lattices on electronic structure. The band structure and density of states are explored by using tight binding approximation where a Hamiltonian operator with nearest-neighbor interactions is introduced. The simulator has a wide range of input parameters where user can select armchair or zigzag GNR. The size of the lattices namely width and length can be varied. The location of the vacancy defect can be pinpoint by providing the row and column of the missing atom. The limitation of GNRSIM at present is that it can only accept a single atom vacancy. GNRSIM is able to be executed as a standalone application software in understanding the fundamental properties of semiconductor material and device engineering through ab-initio calculations.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Existing Graphene Fet Modelsmentioning

confidence: 99%

Section: Graphene Nanoribbon Structurementioning

confidence: 99%

See 2 more Smart Citations

Graphene Nanoribbon Simulator of Vacancy Defects On Electronic Structure

Wong

Mahadzir

Chong

et al. 2018

IJEEI

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“…In this work, the Hamiltonian matrix is divided into the -matrix and -matrix which describes the interactions of silicon atoms in the zigzag unit cell chain and the interations among the zigzag unit cell chains respectively. Therefore, the complex model is now reduced to a form similar to one-dimensional (1D) problem which can be solved using the simple, given by [18,19]: (2) where ′ is the transverse matrix of -matrix, is the wave vector and =0.382 nm [20] is the lattice constant of silicene, but the lattice constant is negligible in this work because the x-axis of the band structure is / .…”

Section: Band Structuresmentioning

confidence: 99%

Electronic properties of zigzag silicene nanoribbons with single vacancy defect

Chuan

Wong

Hamzah

et al. 2020

IJEECS

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<p>Silicene is envisaged as one of the two-dimensional (2D) materials for future nanoelectronic applications. In addition to its extraordinary electronic properties, it is predicted to be compatible with the silicon (Si) fabrication technology. By using nearest neighbour tight-binding (NNTB) approach, the electronic properties of zigzag silicene nanoribbons (ZSiNRs) with single vacancy (SV) defects are modelled and simulated. For 4-ZSiNR with L=2, the band structures and density of states (DOS) are computed based on SV incorporated ZSiNRs at varying defect locations. The results show that the SV defect will shift the band structure and increase the peak of DOS while the bandgap remain zero. This work provides a theoretical framework to understand the impact of SV defect which is an inevitable non-ideal effect during the fabrication of silicene nanoribbons (SiNRs).</p>

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Electronic, transport, magnetic, and optical properties of graphene nanoribbons and their optical sensing applications: A comprehensive review

et al. 2022

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Low dimensional materials have attracted great research interest from both theoretical and experimental point of views. These materials exhibit novel physical and chemical properties due to the confinement effect in low dimensions. The experimental observations of graphene open a new platform to study the physical properties of materials restricted to two dimensions. This featured article provides a review on the novel properties of quasi one‐dimensional (1D) material known as graphene nanoribbon. Graphene nanoribbons can be obtained by unzipping carbon nanotubes (CNT) or cutting the graphene sheet. Alternatively, it is also called the finite termination of graphene edges. It gives rise to different edge geometries, namely zigzag and armchair, among others. There are various physical and chemical techniques to realize these materials. Depending on the edge type termination, these are called the zigzag and armchair graphene nanoribbons (ZGNR and AGNR). These edges play an important role in controlling the properties of graphene nanoribbons. The present review article provides an overview of the electronic, transport, optical, and magnetic properties of graphene nanoribbons. However, there are different ways to tune these properties for device applications. Here, some of them, such as external perturbations and chemical modifications, are highlighted. Few applications of graphene nanoribbon have also been briefly discussed.

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Modeling and Simulation of the Electronic Properties in Graphene Nanoribbons of Varying Widths and Lengths Using Tight-Binding Hamiltonian

Cited by 13 publications

References 0 publications

Graphene Nanoribbon Simulator of Vacancy Defects On Electronic Structure

Graphene Nanoribbon Simulator of Vacancy Defects On Electronic Structure

Electronic properties of zigzag silicene nanoribbons with single vacancy defect

Electronic, transport, magnetic, and optical properties of graphene nanoribbons and their optical sensing applications: A comprehensive review

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