The structure of oxygen on Cu(1 0 0) at low and high coverages

Kittel, Martin; Polčík, Martin; Terborg, Ralf; Hoeft, J.; Baumgärtel, Peter; Bradshaw, Alexander M.; Toomes, Rachel L.; Kang, Jingoo; Woodruff, D.P.; Pascal, Mathieu; Lamont, Christine L. A.; Rotenberg, Eli

doi:10.1016/s0039-6028(00)00873-6

Cited by 75 publications

(55 citation statements)

References 36 publications

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“…59 Ultimately, they may lead to the growth of perpendicular structural domains, as frequently observed on Cu(100)-O. [35][36][37][38][39][40] Due to minimal displacement of oxygen atoms (≈1 pm, in contrast to ≈40 pm vertical displacement near type I defects), oxygen-sensitive force images do not directly reveal the presence of any of these defects. As demonstrated with these results, the capacity to uncover novel information by combining images obtained simultaneously through different contrast mechanisms, which helped to identify the surface defect in this study, is a major advantage of multichannel imaging techniques.…”

Section: Resultsmentioning

confidence: 99%

“…In this one monolayer thick reconstruction, oxygen atoms are located nearly co-planar with the copper atoms. 35,36 Thereby, the two chemical species feature strikingly different structural arrangements: One-third of the copper atoms (Cu1) are located in the centers of the filled rows on the surface, whereas the remaining Cu atoms (Cu2) are on the edges of filled rows. In contrast, oxygen (O) atoms are arranged in rectangles of equal height parallel to the missing rows (3.6 Å), but alternating width (3.5 Å and 3.7 Å, respectively) perpendicular to them due to a lateral relaxation towards the missing rows.…”

Section: A Sample Systemmentioning

confidence: 99%

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Atom-specific forces and defect identification on surface-oxidized Cu(100) with combined 3D-AFM and STM measurements

et al. 2013

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ABSTRACT:The influence of defects on the local structural, electronic, and chemical properties of a surface oxide on Cu(100) were investigated using atomic resolution three-dimensional force mapping combined with tunneling current measurements and ab initio density functional theory. Results reveal that the maximum attractive force between tip and sample occurs above the oxygen atoms; theory indicates that the tip in this case terminates in a Cu atom. Meanwhile, simultaneously acquired tunneling current images emphasize the positions of Cu atoms, thereby providing species-selective contrast in the two complementary data channels. One immediate outcome is that defects due to the displacement of surface copper are exposed in the current maps even though force maps only reflect a well-ordered oxygen sub-lattice. The exact nature of the defects is confirmed by the simulations, which also reveal that the arrangement of the oxygen atoms is not disrupted by the copper displacement. The experimental force maps uncover in addition a position-dependent modulation of the attractive forces between the surface oxygen and the copper-terminated tip, which is found to reflect the surface's inhomogeneous chemical and structural environment. As a consequence, the demonstrated method has the potential to directly probe how defects affect surface chemical interactions.3

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Section: Resultsmentioning

confidence: 99%

Section: A Sample Systemmentioning

confidence: 99%

Atom-specific forces and defect identification on surface-oxidized Cu(100) with combined 3D-AFM and STM measurements

et al. 2013

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“…These structural models succeeded in describing specific situations in terms of the static positions of the adsorbates that were often assumed rigid spheres. The general characteristics of electronic structures and atomic arrangement on a variety of metal oxide surfaces have been now fairly determined [19,20]. There have been many landmark reviews on the progress in this field published recent years [14,16,19,[21][22][23][24][25][26][27][28][29][30][31]].…”

Section: Overviewmentioning

confidence: 99%

Oxidation electronics: bond–band–barrier correlation and its applications

Sun

2003

Progress in Materials Science

219

167

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“…19 Their finding that the MRR is initiated from these c(2 × 2) domains has been supported by experimental and computational studies. [20][21][22][23][24][25][26] Despite numerous investigations, the mechanism for the transformation between the MRR and Cu 2 O is not clear. Using x-ray photoelectron spectroscopy (XPS), x-ray induced Auger electron spectroscopy (XAES), and STM, Lampimaki…”

Section: Introductionmentioning

confidence: 99%

Ab initioatomistic thermodynamics study of the early stages of Cu(100) oxidation

Saidi

Lee

et al. 2012

Phys. Rev. B

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Using an ab initio atomistic thermodynamics framework, we identify the stable surface structures during the early stages of Cu(100) oxidation at finite temperature and pressure conditions. We predict the clean surface, the 0.25 monolayer oxygen-covered surface, and the missing-row reconstruction as thermodynamically stable structures in range of 100-1000 K and 10 −15 -10 5 atm, consistent with previous experimental and theoretical results. We also investigate the thermodynamic stabilities of possible precursors to Cu 2 O formation including missing-row reconstruction structures that include extra on-or subsurface oxygen atoms as well as boundary phases formed from two missing-row nanodomains. While these structures are not predicted to be thermodynamically stable for oxygen chemical potentials below the nucleation limit of Cu 2 O, they are likely to exist due to kinetic hindrance.

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The structure of oxygen on Cu(1 0 0) at low and high coverages

Cited by 75 publications

References 36 publications

Atom-specific forces and defect identification on surface-oxidized Cu(100) with combined 3D-AFM and STM measurements

Atom-specific forces and defect identification on surface-oxidized Cu(100) with combined 3D-AFM and STM measurements

Oxidation electronics: bond–band–barrier correlation and its applications

Ab initioatomistic thermodynamics study of the early stages of Cu(100) oxidation

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