{"title":"Bandstructure and quantum transport properties of AGNR unit cells with V-shaped edge patterning","authors":"Bikramjit Basumatary, Agile Mathew","doi":"10.1007/s10825-023-02096-8","DOIUrl":null,"url":null,"abstract":"<div><p>We investigate how the electronic and transport properties of six arm-chair graphene nanoribbon-based structures are modified with the introduction of symmetrical and asymmetrical geometrical V-cuts on their edges. A tight-binding model based on numerical non-equilibrium Green’s function method is used to compute the transport properties such as local density of states, transmission and current–voltage characteristics. We report the existence of nearly flat mid-bands for certain topologies after edge patterning. These bands give rise to non-zero transmission at low bias voltages. We uncover how this transmission varies with width, length, and biasing of the channel and also the temperature of the contacts. For structures in which flat mid-bands are absent, we show how their band gaps could be tuned by varying the width and length of the modified unit cells.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2023-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Electronics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10825-023-02096-8","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
We investigate how the electronic and transport properties of six arm-chair graphene nanoribbon-based structures are modified with the introduction of symmetrical and asymmetrical geometrical V-cuts on their edges. A tight-binding model based on numerical non-equilibrium Green’s function method is used to compute the transport properties such as local density of states, transmission and current–voltage characteristics. We report the existence of nearly flat mid-bands for certain topologies after edge patterning. These bands give rise to non-zero transmission at low bias voltages. We uncover how this transmission varies with width, length, and biasing of the channel and also the temperature of the contacts. For structures in which flat mid-bands are absent, we show how their band gaps could be tuned by varying the width and length of the modified unit cells.
期刊介绍:
he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered.
In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.