Multilayer relaxation of Ni(110) analysed by LEED and metric distances

Gauthier, Yves; Baudoing, R.; Joly, Yves; Gaubert, C.; Rundgren, J.

doi:10.1088/0022-3719/17/25/017

Cited by 76 publications

(34 citation statements)

References 33 publications

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“…Compared to the bulk interlayer separation of 1.246 A these data indicate a contraction of 8.5% + 1.5% between the topmost two layers followed by an expansion of 3.5% ___ 1.5% and 1% + 1.5% between the subsequent three layers. These data compare well with the results of three other LEED studies on this surface [23][24][25] as listed in table 1. An oscillatory behaviour in the interlayer spacing has been reported so far for several surfaces [26].…”

supporting

confidence: 90%

A leed analysis of the (2 × 1)H-Ni(110) structure

Reimer¹,

Penka²,

Skottke³

et al. 1987

Surface Science Letters

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A monolayer of H atoms adsorbed on Ni(ll0) below 180 K forms a (2 • 1) structure. The unit cell exhibits a glide symmetry plane and contains two adsorbed atoms. Based on a quantitative comparison between experimental and calculated LEED I/V spectra using standard R-factors the following structure was derived: On the clean Ni(ll0) surface the separation between the first two atomic layers, da2, is contracted by 8.5% + 1.5% with respect to the bulk value; those between the second and third and the third and fourth layer, d23 and d34, are expanded by 3.5% + 1.5% and 1% + 1.5%, respectively -in agreement with recent other resutls. In the presence of the H adlayer the contraction of da2 is reduced to 4.5% :i:1.5%, while the expansion of d23 is not affected within the limits of accuracy. The third interlayer spacing d34 returns to its bulk value. The H atoms occupy threefold-coordinated sites formed by two Ni atoms from the first layer and one Ni atom from the second layer which confirms previous more qualitative conclusions based on He diffraction and vibrational spectroscopy. The bond lengths between H and its neighbouring Ni atoms were determined to be equal, namely 1.72+0.1 ,~.The structure of adsorbate layers is of particular interest for the understanding of the energetics of the adsorption system; for the substrate-adsorbate interaction determining the local adsorption geometry as well as for the adsorbate-adsorbate interactions which govern the lateral distribution of the adparticles. Under these aspects the system H/Ni(ll0)[1] appears extremely promising because of its large number of ordered structures. At T< 180 K the adsorbed H atoms form a series of ordered lattice gas structures, which are completed with a (2 • 1) phase at 0 = 1.0 [2,3]. Above this coverage Ha0 induces a reconstruction of the surface into domains of a (1 • 2) structure [4] which covers the entire surface at a saturation coverage of * Present address: Fritz-Haber

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supporting

confidence: 90%

A leed analysis of the (2 × 1)H-Ni(110) structure

Reimer¹,

Penka²,

Skottke³

et al. 1987

Surface Science Letters

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“…This effect has been observed in similar systems such as Cr/W(110) [13] or Ni/W(110) [14], and has been reported for Fe films of mixed thickness on W(110) [10].…”

Section: Introductionsupporting

confidence: 79%

Structure and stability of ultrathin Fe films on W(110)

et al. 2016

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The growth of one and two atomic layers of iron on a W(110) substrate was followed by low-energy electron microscopy. The near-surface structural properties of the perfectly flat pseudomorphic films were studied by quantitative low-energy electron diffraction analysis from areas of uniform thickness as well as by the density functional theory. A strong relaxation of the outermost atomic layers was found in Fe mono-and bi-layers on W(110). By calculating the phonon dispersion relations and phonon density of states, the stability of the pseudomorphic iron bi-layer on a tungsten substrate has been addressed. To complete the physical picture, an iron tri-layer has also been analysed in order to identify the source of instability for its pseudomorphic phase. Our results show that the surface instability originates from the softening of the in-plane surface modes along the [1-10] direction, although the soft modes were not observed. The enhanced magnetic moments calculated within the density functional theory are in good agreement with experimental findings reported for these systems.

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“…[18] MEIS −4 ± 1% --ref. [19] LEED IV −8.4 ± 0.8% +3.1 ± 1% -ref. [20] LEED IV −8.7 ± 0.5% +3.0 ± 0.6% −0.5 ± 0.7% ref.…”

Section: Introductionmentioning

confidence: 95%

First Principles Study of Cu-Embedded Ni(110) Surfaces

Fukuda

Nakayama

Kishida

et al. 2009

e-J. Surf. Sci. Nanotech.

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The atomic geometries and electronic band structures of Cu-embedded Ni(110) surfaces were studied theoretically. First principles calculation with spin-resolved local density functional theory was applied to the Ni(110) surface, and one to four Cu-embedded Ni(110) surfaces in the 2×2 surface unit cell. The optimized structures for the Ni(110) surface showed that interlayer spacing between the first and the second layer shrunk 11.1% of the bulk distance, but the second and third layer spacing expanded by 2.9% in agreement with previous studies. For the Cu-embedded surfaces, embedded Cu atoms are 11-14 pm higher than the top Ni atoms, which is about four times larger than the difference of the atomic radii. The detailed band structures and corresponding local density of states (LDOS) were calculated. At the embedded Cu atom sites, the surface LDOS near the Fermi level was reduced in agreement with previous scanning tunneling microscopy observation. In addition, by increasing the number of Cu atoms in the top layer, magnetic moments were decreased near the surface regions.

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Multilayer relaxation of Ni(110) analysed by LEED and metric distances

Cited by 76 publications

References 33 publications

A leed analysis of the (2 × 1)H-Ni(110) structure

A leed analysis of the (2 × 1)H-Ni(110) structure

Structure and stability of ultrathin Fe films on W(110)

First Principles Study of Cu-Embedded Ni(110) Surfaces

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