t -石墨烯的双波段模型

IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC
Hamze Mousavi
{"title":"t -石墨烯的双波段模型","authors":"Hamze Mousavi","doi":"10.1007/s10825-025-02410-6","DOIUrl":null,"url":null,"abstract":"<div><p>Utilizing a two-band tight-binding Hamiltonian model in conjunction with Green’s function methodology, this study examines the effects of localized <span>\\(\\sigma\\)</span> and delocalized <span>\\(\\pi\\)</span> electrons on the density of states, Pauli paramagnetic susceptibility, and electronic heat capacity of a T-graphene sheet. The analysis reveals an expansion in the bandwidth and an increase in the number of Van-Hove singularities. Importantly, in addition to the magnetic characteristics, which encompass diamagnetism in graphene-based nanosystems, a paramagnetic response linked to the itinerant <span>\\(\\pi\\)</span> electrons can also manifest. Furthermore, a Schottky anomaly in the heat capacity has been observed at various temperatures, attributed to the contributions from the <span>\\(\\sigma\\)</span> and <span>\\(\\pi\\)</span> bands. This investigation underscores the significant contributions of both <span>\\(\\sigma\\)</span> and <span>\\(\\pi\\)</span> electrons to the aforementioned physical properties.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 6","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Two-band model of T-graphene\",\"authors\":\"Hamze Mousavi\",\"doi\":\"10.1007/s10825-025-02410-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Utilizing a two-band tight-binding Hamiltonian model in conjunction with Green’s function methodology, this study examines the effects of localized <span>\\\\(\\\\sigma\\\\)</span> and delocalized <span>\\\\(\\\\pi\\\\)</span> electrons on the density of states, Pauli paramagnetic susceptibility, and electronic heat capacity of a T-graphene sheet. The analysis reveals an expansion in the bandwidth and an increase in the number of Van-Hove singularities. Importantly, in addition to the magnetic characteristics, which encompass diamagnetism in graphene-based nanosystems, a paramagnetic response linked to the itinerant <span>\\\\(\\\\pi\\\\)</span> electrons can also manifest. Furthermore, a Schottky anomaly in the heat capacity has been observed at various temperatures, attributed to the contributions from the <span>\\\\(\\\\sigma\\\\)</span> and <span>\\\\(\\\\pi\\\\)</span> bands. This investigation underscores the significant contributions of both <span>\\\\(\\\\sigma\\\\)</span> and <span>\\\\(\\\\pi\\\\)</span> electrons to the aforementioned physical properties.</p></div>\",\"PeriodicalId\":620,\"journal\":{\"name\":\"Journal of Computational Electronics\",\"volume\":\"24 6\",\"pages\":\"\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-09-12\",\"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/s10825-025-02410-6\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Electronics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10825-025-02410-6","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

摘要

利用双带紧密结合的哈密顿模型结合格林函数方法,本研究考察了局域\(\sigma\)和非局域\(\pi\)电子对t-石墨烯片的态密度、泡利顺磁化率和电子热容量的影响。分析表明,带宽的扩展和范霍夫奇点的数量增加。重要的是,除了石墨烯基纳米系统中包含抗磁性的磁性特性外,与流动\(\pi\)电子相关的顺磁性响应也可以表现出来。此外,由于\(\sigma\)和\(\pi\)波段的贡献,在不同温度下观察到热容的肖特基异常。这项研究强调了\(\sigma\)和\(\pi\)电子对上述物理性质的重要贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Two-band model of T-graphene

Utilizing a two-band tight-binding Hamiltonian model in conjunction with Green’s function methodology, this study examines the effects of localized \(\sigma\) and delocalized \(\pi\) electrons on the density of states, Pauli paramagnetic susceptibility, and electronic heat capacity of a T-graphene sheet. The analysis reveals an expansion in the bandwidth and an increase in the number of Van-Hove singularities. Importantly, in addition to the magnetic characteristics, which encompass diamagnetism in graphene-based nanosystems, a paramagnetic response linked to the itinerant \(\pi\) electrons can also manifest. Furthermore, a Schottky anomaly in the heat capacity has been observed at various temperatures, attributed to the contributions from the \(\sigma\) and \(\pi\) bands. This investigation underscores the significant contributions of both \(\sigma\) and \(\pi\) electrons to the aforementioned physical properties.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Journal of Computational Electronics
Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED
CiteScore
4.50
自引率
4.80%
发文量
142
审稿时长
>12 weeks
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信