KUET Institutional Repository

Analysis of Structural Electronic and Vibrational Properties of Two Dimensional Silicon Carbide

Show simple item record

dc.contributor.advisor Islam, Dr. Md. Sherajul
dc.contributor.author Islam, Md. Rasidul
dc.date.accessioned 2018-12-18T10:51:32Z
dc.date.available 2018-12-18T10:51:32Z
dc.date.copyright 2018
dc.date.issued 2018-05
dc.identifier.other ID 0000000
dc.identifier.uri http://hdl.handle.net/20.500.12228/463
dc.description This thesis is submitted to the Department of Electrical and Electronic Engineering, Khulna University of Engineering & Technology in partial fulfillment of the requirements for the degree of Master of Science in Electrical and Electronic Engineering, May 2018. en_US
dc.description Cataloged from PDF Version of Thesis.
dc.description Includes bibliographical references (pages 59-65).
dc.description.abstract Two dimensional silicon carbide (2D-SiC) has fascinated incredible research attention recently because of its large direct bandgap and high exciton binding energy. Nonetheless, no well-established researches have been performed on 2D-SiC combining its physical, electronic and vibrational properties. Here, we have investigated the details of the full physical picture of novel 2D-SiC describing their structures and functions as well as the electronic tunability and phonon properties using the first principle density functional theory. The structural properties show that 2D-SiC has the honeycomb graphene like structure with lattice constant 5.72 Ry (3.101 A). The positive phonon modes in the vibrational properties indicate that the plane structure of 2D-SiC is dynamically stable. The calculated projected density of states (PDOSs) have exposed that the conduction and valence band edges at the K point have been constructed by the π and π*-bands, which are formed due to the bonding and anti-bonding combination of Si-3pz and C-2pz orbitals. The electronic properties of semiconductor materials are greatly influenced by the spin orbit coupling (SOC) effect. The effects of SOC on the electronic structure of 2D-SiC have been studied using the first-principle calculation which is implemented on quantum espresso 6.1 version. Though the electronic band structure shows that the 2D-SiC monolayer possesses a direct band gap of 2.71 eV, the electronic band become split and the band gap turns to 2.827 eV while considering the SOC effect. It is found that SOC induces splitting in both valence and conduction bands of this material. A SOC induced bandgap on the order of 117 meV has been generated at the K-point. The calculated partial electron density of state exposes that the silicon 3p electrons and carbon 2p electrons are critical in forming the electronic bandgap. Phonon density of states, thermal properties, Raman and Infrared spectra of this material have been also calculated. In addition, the effect of Si and C vacancies on the electronic properties of 2D-SiC has been addressed with and without considering SOC effect. These findings suggest that the monolayer 2D-SiC may present a new platform of 2D materials, with a rich variety of properties for applications in electronics, optoelectronics and spintronics devices. en_US
dc.description.statementofresponsibility Md. Rasidul Islam
dc.format.extent 67 pages
dc.language.iso en_US en_US
dc.publisher Khulna University of Engineering & Technology (KUET), Khulna, Bangladesh en_US
dc.rights Khulna University of Engineering & Technology (KUET) thesis/dissertation/internship reports are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission.
dc.subject Two Dimensional Silicon Carbide (2D-SiC) en_US
dc.subject Electronic Tunability en_US
dc.subject Phonon Properties en_US
dc.subject Electronic Properties en_US
dc.subject Vibrational Properties en_US
dc.title Analysis of Structural Electronic and Vibrational Properties of Two Dimensional Silicon Carbide en_US
dc.type Thesis en_US
dc.description.degree Master of Science in Electrical and Electronic Engineering
dc.contributor.department Department of Electrical and Electronic Engineering

Files in this item

This item appears in the following Collection(s)

Show simple item record

Search KUET IR


My Account