{"title":"通过环状DNA分子结的自旋过滤:外场与手性。","authors":"Sheng'ao Zhang, Feng Jiang, Yonghong Yan, Yanyan Zhu","doi":"10.1063/5.0293492","DOIUrl":null,"url":null,"abstract":"<p><p>To gain an in-depth understanding of the so-called Chiral-Induced Spin Selectivity effect in helical molecular chains, we developed a spin-orbit interaction model in second-quantized form to describe the circular helical structure. We then employed the standard non-equilibrium Green's function theory to study spin filtering through circular DNA molecular junctions and found the general spin-dependent sideband resonance structure in conductance. By utilizing the natural structure of circular DNA molecules, we further demonstrated the unique spin-filtering Aharonov-Bohm effect of non-magnetic systems and the relationship between spin polarization, external fields, and chirality. The existence of a critical transverse electric field in the modulation of the spin-filtering Aharonov-Bohm effect is especially very interesting and inspiring.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"163 14","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Spin filtering through circular DNA molecular junctions: External field vs chirality.\",\"authors\":\"Sheng'ao Zhang, Feng Jiang, Yonghong Yan, Yanyan Zhu\",\"doi\":\"10.1063/5.0293492\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>To gain an in-depth understanding of the so-called Chiral-Induced Spin Selectivity effect in helical molecular chains, we developed a spin-orbit interaction model in second-quantized form to describe the circular helical structure. We then employed the standard non-equilibrium Green's function theory to study spin filtering through circular DNA molecular junctions and found the general spin-dependent sideband resonance structure in conductance. By utilizing the natural structure of circular DNA molecules, we further demonstrated the unique spin-filtering Aharonov-Bohm effect of non-magnetic systems and the relationship between spin polarization, external fields, and chirality. The existence of a critical transverse electric field in the modulation of the spin-filtering Aharonov-Bohm effect is especially very interesting and inspiring.</p>\",\"PeriodicalId\":15313,\"journal\":{\"name\":\"Journal of Chemical Physics\",\"volume\":\"163 14\",\"pages\":\"\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-10-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0293492\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0293492","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Spin filtering through circular DNA molecular junctions: External field vs chirality.
To gain an in-depth understanding of the so-called Chiral-Induced Spin Selectivity effect in helical molecular chains, we developed a spin-orbit interaction model in second-quantized form to describe the circular helical structure. We then employed the standard non-equilibrium Green's function theory to study spin filtering through circular DNA molecular junctions and found the general spin-dependent sideband resonance structure in conductance. By utilizing the natural structure of circular DNA molecules, we further demonstrated the unique spin-filtering Aharonov-Bohm effect of non-magnetic systems and the relationship between spin polarization, external fields, and chirality. The existence of a critical transverse electric field in the modulation of the spin-filtering Aharonov-Bohm effect is especially very interesting and inspiring.
期刊介绍:
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
Biological Molecules and Networks.