Mingxing Zhao , Jiafei Yao , Jie Wu , Huazhong Liu , Yixuan Chen , Wei Tan , Honngob Du
{"title":"氮掺杂石墨烯的铁磁行为:对潜在机制的见解","authors":"Mingxing Zhao , Jiafei Yao , Jie Wu , Huazhong Liu , Yixuan Chen , Wei Tan , Honngob Du","doi":"10.1016/j.physleta.2025.130844","DOIUrl":null,"url":null,"abstract":"<div><div>A theoretical investigation was conducted to explore the magnetic mechanisms induced by nitrogen doping in graphene. Our investigation indicates that the primary source of magnetism in nitrogen-doped graphene is the stable adsorption of single nitrogen atoms. These nitrogen atoms, when adsorbed in a bridge configuration on carbon-carbon bonds, break the original symmetry of the graphene lattice, altering the electron cloud distribution and inducing local spin polarization. In contrast, substitutional doping does not cause symmetry breaking or significantly affect the electron cloud, resulting in a zero magnetic moment. At low doping concentrations, nitrogen atoms are widely spaced, preventing interactions between them. In this case, the spins of the nitrogen atoms are randomly oriented, leading to paramagnetism. However, as the nitrogen concentration increases and the distance between adsorbed nitrogen atoms decreases, coupling interactions emerge, causing the spins of the nitrogen atoms to align in the same direction. When the doping concentration exceeds a critical threshold, the material exhibits ferromagnetism.</div></div>","PeriodicalId":20172,"journal":{"name":"Physics Letters A","volume":"557 ","pages":"Article 130844"},"PeriodicalIF":2.6000,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Ferromagnetic behavior in nitrogen-doped graphene: Insights into the underlying mechanisms\",\"authors\":\"Mingxing Zhao , Jiafei Yao , Jie Wu , Huazhong Liu , Yixuan Chen , Wei Tan , Honngob Du\",\"doi\":\"10.1016/j.physleta.2025.130844\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A theoretical investigation was conducted to explore the magnetic mechanisms induced by nitrogen doping in graphene. Our investigation indicates that the primary source of magnetism in nitrogen-doped graphene is the stable adsorption of single nitrogen atoms. These nitrogen atoms, when adsorbed in a bridge configuration on carbon-carbon bonds, break the original symmetry of the graphene lattice, altering the electron cloud distribution and inducing local spin polarization. In contrast, substitutional doping does not cause symmetry breaking or significantly affect the electron cloud, resulting in a zero magnetic moment. At low doping concentrations, nitrogen atoms are widely spaced, preventing interactions between them. In this case, the spins of the nitrogen atoms are randomly oriented, leading to paramagnetism. However, as the nitrogen concentration increases and the distance between adsorbed nitrogen atoms decreases, coupling interactions emerge, causing the spins of the nitrogen atoms to align in the same direction. When the doping concentration exceeds a critical threshold, the material exhibits ferromagnetism.</div></div>\",\"PeriodicalId\":20172,\"journal\":{\"name\":\"Physics Letters A\",\"volume\":\"557 \",\"pages\":\"Article 130844\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-07-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physics Letters A\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0375960125006243\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics Letters A","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0375960125006243","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Ferromagnetic behavior in nitrogen-doped graphene: Insights into the underlying mechanisms
A theoretical investigation was conducted to explore the magnetic mechanisms induced by nitrogen doping in graphene. Our investigation indicates that the primary source of magnetism in nitrogen-doped graphene is the stable adsorption of single nitrogen atoms. These nitrogen atoms, when adsorbed in a bridge configuration on carbon-carbon bonds, break the original symmetry of the graphene lattice, altering the electron cloud distribution and inducing local spin polarization. In contrast, substitutional doping does not cause symmetry breaking or significantly affect the electron cloud, resulting in a zero magnetic moment. At low doping concentrations, nitrogen atoms are widely spaced, preventing interactions between them. In this case, the spins of the nitrogen atoms are randomly oriented, leading to paramagnetism. However, as the nitrogen concentration increases and the distance between adsorbed nitrogen atoms decreases, coupling interactions emerge, causing the spins of the nitrogen atoms to align in the same direction. When the doping concentration exceeds a critical threshold, the material exhibits ferromagnetism.
期刊介绍:
Physics Letters A offers an exciting publication outlet for novel and frontier physics. It encourages the submission of new research on: condensed matter physics, theoretical physics, nonlinear science, statistical physics, mathematical and computational physics, general and cross-disciplinary physics (including foundations), atomic, molecular and cluster physics, plasma and fluid physics, optical physics, biological physics and nanoscience. No articles on High Energy and Nuclear Physics are published in Physics Letters A. The journal''s high standard and wide dissemination ensures a broad readership amongst the physics community. Rapid publication times and flexible length restrictions give Physics Letters A the edge over other journals in the field.