Killian Walshe, Brian Walls, Alexei Yu Aladyshkin, Victor N Matveev, Kuanysh Zhussupbekov, Andrey M Ionov, Igor V Shvets, Sergey I Bozhko
{"title":"Investigation of surface and subsurface defects of Cu(111) surface by scanning tunneling microscopy.","authors":"Killian Walshe, Brian Walls, Alexei Yu Aladyshkin, Victor N Matveev, Kuanysh Zhussupbekov, Andrey M Ionov, Igor V Shvets, Sergey I Bozhko","doi":"10.1063/5.0351674","DOIUrl":null,"url":null,"abstract":"<p><p>Various types of surface defects are observed using scanning tunneling microscopy (STM) on a clean Cu(111) surface. Detailed STM images of defects show an asymmetric structure comprised of a bright protrusion inside a hexagonal depression. Protrusions are consistently aligned in the same direction, Cu[001], on the surface. The defects are observed to interact with one another, as each defect is separated by an integer multiple of half the Fermi wavelength, evident from the quasiparticle interference oscillations resulting from the defects. This interaction is also suspected to dictate the orientation of the defects, resulting in their uniform alignment. Ab initio density functional theory methods are used to investigate Cu(111) surface defects and adatoms. Simulated STM images using the Tersoff-Hamann scheme are compared to STM images. Results are also discussed in the context of existing literature on similar structures.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 15","pages":""},"PeriodicalIF":3.7000,"publicationDate":"2026-10-21","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/10.1063/5.0351674","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Various types of surface defects are observed using scanning tunneling microscopy (STM) on a clean Cu(111) surface. Detailed STM images of defects show an asymmetric structure comprised of a bright protrusion inside a hexagonal depression. Protrusions are consistently aligned in the same direction, Cu[001], on the surface. The defects are observed to interact with one another, as each defect is separated by an integer multiple of half the Fermi wavelength, evident from the quasiparticle interference oscillations resulting from the defects. This interaction is also suspected to dictate the orientation of the defects, resulting in their uniform alignment. Ab initio density functional theory methods are used to investigate Cu(111) surface defects and adatoms. Simulated STM images using the Tersoff-Hamann scheme are compared to STM images. Results are also discussed in the context of existing literature on similar structures.
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.