Low-energy electron diffraction analysis of clean Fe (001)

Legg, Keith; Jona, F.; Jepsen, D. W.; Marcus, P. M.

doi:10.1088/0022-3719/10/7/005

Cited by 79 publications

(25 citation statements)

References 12 publications

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“…Both the experimental and the calculated results were found to be in excellent agreement with those reported by Legg et al [8] and are therefore not repeated here. The topmost interlayer spacing is slightly reduced (by about 1.5%) with respect to the bulk value: A minimum averaged reliability factor r = 0.15 was determined for four beams, using the r-factor program by Zanazzi and Jona [ 141. The formation of the N overlayer causes not only the appearance of new fractional-order beams, but also affects the I-V spectra from the integral-order beams.…”

Section: Resultssupporting

confidence: 85%

“…Its optimum value found was I$ = 9.5 eV, whereby no correction for the work function difference is taken into account. The imaginary part of the inner potential was set equal to 0.85E 'I3 [eV], which yielded better agreement between theory and experiment than the smaller value of approximately 0.7E"" [eV] as used by Legg et al [8] in a study of the clean Fe(100) surface. No further efforts were made to optimize this as well as other non-structural parameters.…”

Section: Calculation Proceduresmentioning

confidence: 99%

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The structure of atomic nitrogen adsorbed on Fe(100)

et al. 1982

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Nitrogen atoms adsorbed on a Fe(100) surface cause the formation of an ordered ~(2x2) overlayer with coverage 0.5. A structure analysis was performed by comparing experimental LEED I-V spectra with the results of multiple scattering Todel calculations.The N atoms were found to occupy fourfold hollow sites, with their plane 0.27 A above the plane of the surface Fe atoms. In addition, nitrogen adsorption causes an expansion of the two topmost Fe layers by 10% ( = 0.14 A). The minimum r-factor for this structure analysis is about 0.2 for a total of 16 beams. The resulting atomic arrangement is similar to that in the (002) plane of bulk Fe,N, thus supporting the view of a "surface nitride" and providing a consistent picture of the structural and bonding properties of this surface phase.

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Section: Resultssupporting

confidence: 85%

Section: Calculation Proceduresmentioning

confidence: 99%

The structure of atomic nitrogen adsorbed on Fe(100)

et al. 1982

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“…Estimated relaxations and magnetic moments for the first layers of the Fe(100) surface are given in Table 2 with a comparison with other available literature values. [23][24][25] As given in Tables 1 and 2, our calculated properties for bulk Fe and Fe(100) surface are in good agreement with other theoretical and experimental values. …”

Section: Fe Bulk and Fe(100) Surfacesupporting

confidence: 88%

Theoretical insight into chlorine adsorption on the Fe(100) surface

Altarawneh

Saraireh

2014

Phys. Chem. Chem. Phys.

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These results will help to understand and reduce the emission of iron chlorides from the use of commercial oil lubricants.Please check this proof carefully. Our staff will not read it in detail after you have returned it.Translation errors between word-processor files and typesetting systems can occur so the whole proof needs to be read. Please pay particular attention to: tabulated material; equations; numerical data; figures and graphics; and references. If you have not already indicated the corresponding author(s) please mark their name(s) with an asterisk. Please e-mail a list of corrections or the PDF with electronic notes attached -do not change the text within the PDF file or send a revised manuscript. Corrections at this stage should be minor and not involve extensive changes. All corrections must be sent at the same time.Please bear in mind that minor layout improvements, e.g. in line breaking, table widths and graphic placement, are routinely applied to the final version.Please note that, in the typefaces we use, an italic vee looks like this: n, and a Greek nu looks like this: n.We will publish articles on the web as soon as possible after receiving your corrections; no late corrections will be made.Please return your final corrections, where possible within 48 hours of receipt, by e-mail to: pccp@rsc.orgQueries for the attention of the authors Please ensure that all queries are answered when returning your proof corrections so that publication of your article is not delayed.

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“…The comparison of unpublished experimental LEED I (V ) data for Fe(100) and theoretical best-fit LEED I (V ) curves of five different beams of the Fe(100) surface is shown in figure 3. Our study indicates a contraction of the first Fe-Fe layer of 10 ± 2% that is substantially larger than the 0-3% estimate for the Fe(100) surface contraction obtained by Legg et al [56]. This new estimate of the surface layer contraction for Fe(100) comes from a fitting to the LEED I (V ) data following the procedure of Clarke [53,57], with an extremely good R-factor fitting, as summarized in figure 4.…”

Section: Determination Of the Mo(112) Surface Structuresupporting

confidence: 52%

The surface relaxation and band structure of Mo(112)

Losovyj

et al. 2009

J. Phys.: Condens. Matter

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Colón Santana, J. A.; and Dowben, Peter A., "The surface relaxation and band structure of Mo (112) (112) are compared. This surface band structure mapping is presented with corrections included for the lattice relaxation of the Mo(112) surface. Quantitative low energy electron diffraction (LEED) has been used to determine the details of the Mo(112) surface structure. The first layer contraction is 14.9% by LEED intensity versus voltage analysis and is in general agreement with the 17.6% contraction found from total surface energy optimization. The electronic band structure is mapped out alonḡ -X and¯ -Ȳ of the surface Brillouin zone (SBZ). There is strong evidence of electron-phonon coupling particularly in the region of the Fermi level band crossing at 0.54Å −1 .

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Low-energy electron diffraction analysis of clean Fe (001)

Cited by 79 publications

References 12 publications

The structure of atomic nitrogen adsorbed on Fe(100)

The structure of atomic nitrogen adsorbed on Fe(100)

Theoretical insight into chlorine adsorption on the Fe(100) surface

The surface relaxation and band structure of Mo(112)

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