{"title":"手性碳化硅纳米管的自旋特性","authors":"P. N. D’yachkov, P. A. Kulyamin","doi":"10.1134/s0036023624700566","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The band structure of single-walled SiC (<i>n</i><sub>1</sub>, <i>n</i><sub>2</sub>) nanotubes (<i>n</i><sub>1</sub> = 7, 0 ≤ <i>n</i><sub>2</sub> ≤ 7) as a function of spin and chirality has been calculated by the relativistic augmented cylindrical wave method. It has been found that the nanotubes are wide-band semiconductors with <i>E</i><sub><i>g</i></sub> ranging from 2.26 to 3.15 eV, and the spin–orbit splitting of the valence and conduction band edges are in the range 0.05–3.5 meV. The spin–orbit gap energies in righthanded and lefthanded enantiomers coincide, but the spins are opposite. Chiral nanotubes most suitable for selective spin transport with potentially high fluxes of α- and β-electrons in opposite directions have been determined.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"54 1","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Spin Properties of Chiral SiC Nanotubes\",\"authors\":\"P. N. D’yachkov, P. A. Kulyamin\",\"doi\":\"10.1134/s0036023624700566\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<h3 data-test=\\\"abstract-sub-heading\\\">Abstract</h3><p>The band structure of single-walled SiC (<i>n</i><sub>1</sub>, <i>n</i><sub>2</sub>) nanotubes (<i>n</i><sub>1</sub> = 7, 0 ≤ <i>n</i><sub>2</sub> ≤ 7) as a function of spin and chirality has been calculated by the relativistic augmented cylindrical wave method. It has been found that the nanotubes are wide-band semiconductors with <i>E</i><sub><i>g</i></sub> ranging from 2.26 to 3.15 eV, and the spin–orbit splitting of the valence and conduction band edges are in the range 0.05–3.5 meV. The spin–orbit gap energies in righthanded and lefthanded enantiomers coincide, but the spins are opposite. Chiral nanotubes most suitable for selective spin transport with potentially high fluxes of α- and β-electrons in opposite directions have been determined.</p>\",\"PeriodicalId\":762,\"journal\":{\"name\":\"Russian Journal of Inorganic Chemistry\",\"volume\":\"54 1\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-09-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Journal of Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1134/s0036023624700566\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1134/s0036023624700566","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
The band structure of single-walled SiC (n1, n2) nanotubes (n1 = 7, 0 ≤ n2 ≤ 7) as a function of spin and chirality has been calculated by the relativistic augmented cylindrical wave method. It has been found that the nanotubes are wide-band semiconductors with Eg ranging from 2.26 to 3.15 eV, and the spin–orbit splitting of the valence and conduction band edges are in the range 0.05–3.5 meV. The spin–orbit gap energies in righthanded and lefthanded enantiomers coincide, but the spins are opposite. Chiral nanotubes most suitable for selective spin transport with potentially high fluxes of α- and β-electrons in opposite directions have been determined.
期刊介绍：
Russian Journal of Inorganic Chemistry is a monthly periodical that covers the following topics of research: the synthesis and properties of inorganic compounds, coordination compounds, physicochemical analysis of inorganic systems, theoretical inorganic chemistry, physical methods of investigation, chemistry of solutions, inorganic materials, and nanomaterials.
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