{"title":"界面局部场和表面响应系数","authors":"Yuxuan Wei, Y R Shen","doi":"10.1063/5.0231281","DOIUrl":null,"url":null,"abstract":"<p><p>The interfacial local field is of critical importance in data analysis to deduce intrinsic surface responses from optical measurements of interfaces of condensed media but has not yet been well interrogated. We present here a simple approach to find local fields approximately at various interfaces of isotropic or nearly isotropic media. We divide a medium into atomic planes or molecular layers. It is found that the dipolar field contribution to the local field in a plane or layer from induced dipoles residing in planes beyond the nearest neighbor planes or layers is negligible; in many cases, the contribution is dominated by in-plane dipoles and the local field has a simple expression very much like that for an isotropic bulk. This finding allows us to calculate approximate local field variation at various interfaces. With the interfacial local field known, intrinsic surface response coefficients can be extracted from the optically measured surface responses.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Interfacial local field and surface response coefficients.\",\"authors\":\"Yuxuan Wei, Y R Shen\",\"doi\":\"10.1063/5.0231281\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The interfacial local field is of critical importance in data analysis to deduce intrinsic surface responses from optical measurements of interfaces of condensed media but has not yet been well interrogated. We present here a simple approach to find local fields approximately at various interfaces of isotropic or nearly isotropic media. We divide a medium into atomic planes or molecular layers. It is found that the dipolar field contribution to the local field in a plane or layer from induced dipoles residing in planes beyond the nearest neighbor planes or layers is negligible; in many cases, the contribution is dominated by in-plane dipoles and the local field has a simple expression very much like that for an isotropic bulk. This finding allows us to calculate approximate local field variation at various interfaces. With the interfacial local field known, intrinsic surface response coefficients can be extracted from the optically measured surface responses.</p>\",\"PeriodicalId\":15313,\"journal\":{\"name\":\"Journal of Chemical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-09-28\",\"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/10.1063/5.0231281\",\"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/10.1063/5.0231281","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Interfacial local field and surface response coefficients.
The interfacial local field is of critical importance in data analysis to deduce intrinsic surface responses from optical measurements of interfaces of condensed media but has not yet been well interrogated. We present here a simple approach to find local fields approximately at various interfaces of isotropic or nearly isotropic media. We divide a medium into atomic planes or molecular layers. It is found that the dipolar field contribution to the local field in a plane or layer from induced dipoles residing in planes beyond the nearest neighbor planes or layers is negligible; in many cases, the contribution is dominated by in-plane dipoles and the local field has a simple expression very much like that for an isotropic bulk. This finding allows us to calculate approximate local field variation at various interfaces. With the interfacial local field known, intrinsic surface response coefficients can be extracted from the optically measured surface responses.
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.