{"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}
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.
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.