Atomic-Scale Observations of Alloying at the Cr-Fe(001) Interface

Davies, Angela; Stroscio, Joseph A.; Pierce, Daniel T.; Celotta, Robert

doi:10.1103/physrevlett.76.4175

Cited by 225 publications

(151 citation statements)

References 17 publications

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“…The position of the two ͑minority͒ peaks close to the Fermi level is in very good agreement with the STS experiment of Davies et al, 8 who observed a double-peak structure on the tunneling spectrum when the STM tip was above the defect. They identified the defects as single Cr impurities in the surface layer, which is confirmed by our calculation.…”

Section: Impurities In Fe"001…supporting

confidence: 78%

“…8; thus only states with the slowest decay in the vacuum were probed. In this way a single peak in the LDOS in the vacuum region above the E F was obtained, in agreement with the measured spectra.…”

Section: Fe"001… Surfacementioning

confidence: 99%

“…In the case of Fe these surface states, which are of sϪd z 2 character, are energetically located in the band gap of the ⌬ 1 bulk minority states at the ⌫ point of the Fe band structure. 7 Similar surfacelike states were used to identify directly single Cr atoms on the Fe͑001͒ surface with STM, 8 while analogous resonances were observed on a Fe͑001͒ surface alloyed with Si. 9 The ground-state properties of single impurities on the Fe͑001͒ surface were recently studied theoretically.…”

Section: Introductionmentioning

confidence: 99%

“…Total-energy calculations showed that for most 3d impurities the adatom position is instable against a direct exchange mechanism, resulting in an integration of the impurities into the first layer, as observed experimentally for Cr impurities. 8 A reliable analysis of the tunneling current can be done with the help of ab initio calculations. 7,9,4,11 STM essentially probes the surface electronic structure in the tip region.…”

Section: Introductionmentioning

confidence: 99%

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Scanning tunneling spectra of impurities in the Fe(001) surface

et al. 2000

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We present ab initio calculations of scanning tunneling spectra for the Fe͑001͒ surface and for 3d impurities in this surface. The calculations are performed by the full-potential Korringa-Kohn-Rostoker Green's-function method, and also partly by the full-potential linearized augmented-plane-wave method. For the clean Fe͑001͒ surface we demonstrate that the correct tunneling spectrum is only obtained in a full potential treatment, while the atomic-sphere approximation yields incorrect results. For 3d impurities in the surface layer, peaks appear in the spectra due to surfacelike states localized on the impurity site. Our results can explain recent scanning tunneling microscopy experiments on Cr impurities in the Fe͑001͒ surface, and predict that chemical identification is also possible for many other transition-metal impurities.

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Section: Impurities In Fe"001…supporting

confidence: 78%

Section: Fe"001… Surfacementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Scanning tunneling spectra of impurities in the Fe(001) surface

et al. 2000

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“…The observation of these features in STM measurement performed at room temperature, where adatoms are usually extremely mobile, suggests that deposited Cr atoms could be blocked by embedding into the topmost substrate layers, similarly to what has been proposed for Cr grown on Fe(001). 53 We recall that the Fe(001)-p(1 × 1)O substrate does not posses any preferential site for the atom stabilization (exploited, for example, in Ref. 54).…”

Section: Resultsmentioning

confidence: 99%

Self-organized chromium oxide monolayers on Fe(001)

et al. 2013

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The oxygen-saturated Fe(001)-p(1 × 1)O surface has been used as a template to stabilize two-dimensional Cr oxides on Fe(001). Cr deposition at 400 • C leads to two different well-ordered phases, depending on the amount of Cr deposited. In the submonolayer regime a novel c(4 × 2) overlayer self-assembles on the Fe(001)-p(1 × 1)O surface, saturating for a coverage of about 0.75 monolayers. This phase becomes unstable for higher coverages, when a ( √ 5 × √ 5)R27 • superstructure emerges. The structural and electronic details of the two one-layer-thick oxides are studied by combining high-resolution scanning tunneling microscopy, low-energy electron diffraction, Auger electron spectroscopy, and density functional theory.

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First-Principles Interpretation of Scanning Tunneling Microscopy Applied to Transition-Metal Surfaces: Buried CuIr/Cu(001) Surface Alloys

Heinze

Bihlmayer

Blügel

2001

phys. stat. sol. (a)

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For the example of scanning tunneling microscopy (STM) experiments, carried out for Ir impurities and chains buried in the sub-surface layer of Cu(001), we represent the present status of analyzing STM experiments of transition-metal surfaces using first-principles calculations based on the density functional theory to describe the electronic structure of the sample, in combination with the model of Tersoff and Hamann to evaluate the tunneling current between tip and sample. We show that transition-metal defect structures below the Cu(001) surface can be detected by STM and the detection should not be restricted to Ir defects nor to the sub-surface layer.

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Atomic-Scale Observations of Alloying at the Cr-Fe(001) Interface

Cited by 225 publications

References 17 publications

Scanning tunneling spectra of impurities in the Fe(001) surface

Scanning tunneling spectra of impurities in the Fe(001) surface

Self-organized chromium oxide monolayers on Fe(001)

First-Principles Interpretation of Scanning Tunneling Microscopy Applied to Transition-Metal Surfaces: Buried CuIr/Cu(001) Surface Alloys

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