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          Institute: Fritz-Haber-Institut     Collection: Physical Chemistry     Display Documents

ID: 232286.0, Fritz-Haber-Institut / Physical Chemistry
Origin of contrast in STM images of oxygen on Pd(111) and its dependence on tip structure and tunneling parameters
Authors:Blanco, Jose Manuel; González, Cesar; Jelínek, Pavel; Ortega, José; Flores, Fernando; Pérez, Rubén; Rose, Mark; Salmeron, Miquel; Méndez, Javier; Wintterlin, Joost; Ertl, Gerhard
Date of Publication (YYYY-MM-DD):2005-03-10
Title of Journal:Physical Review B
Journal Abbrev.:Phys. Rev. B
Issue / Number:11
Start Page:113402–1
End Page:113402–4
Copyright:© 2005 The American Physical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:The dependence of the contrast and symmetry of scanning tunneling microscope images of O/Pd(111)–2x2 on the structure of the tunneling tip and on tunneling parameters is explained using first-principles density functional theory. Experimentally, the contrast changes in different ways when a metal-terminated tip over hcp and top sites changes its bias and tip-sample distance. These changes are also reflected in the symmetry of the image. A detailed analysis of the tunneling contributions indicates that for the metallic tips, the Pd d orbitals are determining the image symmetry at close range and low bias, while at larger separations and high bias the Pd pz orbitals are the ones that control the image contrast. For oxygen-terminated tips, we predict a positive image contrast, associated with the tip oxygen bonds, as opposed to the negative contrast images obtained with metallic tips.
Free Keywords:scanning tunnelling microscopy; adsorbed layers; oxygen; palladium; tunnelling; surface reconstruction; ab initio calculations; density functional theory
External Publication Status:published
Document Type:Article
Communicated by:Gerhard Ertl
Affiliations:Fritz-Haber-Institut/Physical Chemistry
External Affiliations:Blanco JM, González C, Jelínek P, Ortega J, Flores F, Pérez R, Dpto de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain; Jelínek P, Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, 1862 53, Prague, Czech Republic; Rose M, Salmeron M, Institute of Physics, University of California, Berkeley, California, USA; Méndez J, Instituto de Ciencia de Materiales de Madrid, ICMM-CSIC, Madrid 28049, Spain; Wintterlin J, Department Chemie, Ludwig-Maximilians-Universität, Butenandtstr. 11, Haus E, 81377 München, Germany
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