No Thermal Roughening on Cu(110) up to 900 K

Zeppenfeld, P.; Kern, Klaus; David, Rudolf; Comşa, George

doi:10.1103/physrevlett.62.63

Cited by 144 publications

(42 citation statements)

References 30 publications

(14 reference statements)

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“…These experimental techniques have been applied to study the copper (010), (110) and (111) surfaces. The results for the (110) face have shown an enhancement of the disorder for temperatures above T = 550K and a roughening transition at T R = 870K [9] and T R = 1070K [10]. For the (010) face, LEED experiments show an enhancement of the atoms vibrational amplitude at the surface [11].…”

Section: Introductionmentioning

confidence: 75%

See 1 more Smart Citation

Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation

Resende¹,

Carvalho²,

Costa³

et al. 2004

Braz. J. Phys.

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The thermal behavior of the (010), (110) and (111) copper surfaces is studied by molecular dynamics simulation. We have used a many-body potential based on the tight-binding model in order to describe the Cu-Cu interaction. The calculations we have performed correspond to simulations in the temperature range between 600 and 1800 K. The observed order in the stability follows the same order as in the packing density, i. e., (110), (010) and (111). The (110) disorder results from anharmonic effects and by vacancy-adatom formation. On the other end, the (111) surface is very stable, and remains so up to temperatures of the order of the bulk melting point. The melting proceeds by a layer-by-layer mechanism.

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Section: Introductionmentioning

confidence: 75%

“…These behaviours have been attributed to strong anharmonic vibrations of the atoms at the surface. This anharmonicity brings disorder to the surface, mainly at high temperatures [8,9,10]. These experimental techniques have been applied to study the copper (010), (110) and (111) surfaces.…”

Section: Introductionmentioning

confidence: 99%

Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation

Resende¹,

Carvalho²,

Costa³

et al. 2004

Braz. J. Phys.

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“…However, we note already here that statistical mechanics predicts surface roughening to give rise to the following very specific peak profiles of elastically scattered He atoms [78,79]. The intensity in the wings of the diffraction peaks is predicted to decay with increasing parallel momentum change Δk || • ) [75]. b) Effective mean-square vibrational amplitudes of the Cu(110) surface atoms inferred from HAS [65,75], ICISS, and IPES [64].…”

Section: Surface Phonons and Anharmonicitymentioning

confidence: 74%

“…One example is the specular reflectivity in HAS, which follows the expected Debye-Waller decay until 550 K and then decreases much more strongly, see Fig. 6a) [65,75]. This has been attributed to strongly enhanced effective mean square displacements due to large surface anharmonicity for that system [75].…”

Section: Surface Phonons and Anharmonicitymentioning

confidence: 80%

Thermal dynamics at surfaces

Brune¹

2009

Ann. Phys.

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The present paper describes what happens at the surface of a crystal as its temperature steadily increases from zero Kelvin close to the bulk melting temperature. We treat thermal motion, such as the diffusion of individual adatoms establishing mass transport, the formation of adatom or vacancy gases coexisting with islands or steps of the condensed phase, surface phonons and the anharmonicity of the surface potential being markedly different from the one in bulk, as well as thermally induced reconstructions, surface roughening, and finally surface melting, which usually well precedes bulk melting. The paper intends to give an overview with references to the original and review literature.

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“…The measurements of the DWF in HAS from metal surfaces have been systematically performed for Ag(111) [18], Pt(111) [19], Cu(001) [20], Cu(110) [21] and Ni(115) [22] and theoretical interpretations given within two different approaches developed to treat multiphonon excitations is atom-surface collisions. The calculations of the DWF in HAS from Ag(111) [23] and Pt(111) [19] were based on a three-dimensional scattering formalism developed in Ref.…”

Section: Introductionmentioning

confidence: 99%

Debye-Waller factor in He→Cu(001) collisions revisited: the role of the interaction potentials

Šiber¹,

Gumhalter²

1997

Surface Science

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Following the recently accumulated information on the vibrational properties of the Cu(001) surface acquired through single-and multiphonon He atom scattering experiments and the concomitant theoretical investigations, we have reexamined the properties of the Debye-Waller factor (DWF) characteristic of the He→Cu(001) collisions using the recently developed fully quantal and three-dimensional model of inelastic He atom scattering from surfaces. We have focused our attention on the role which the various He-surface model potentials with their characteristic interaction parameters (range of the interaction, momentum and energy transfer cut-offs etc.) employed in the interpretation of the scattering data may play in determining the magnitude of the DWF. By combining the He-Cu(001) potential whose repulsive and attractive components are both allowed to vibrate with the substrate phonon density of states encompassing anharmonic effects, we obtain the values of the DWF which agree nicely with the experimental data without invoking additional fitting parameters. On the other hand, by taking the phonon momentum transfer cut-off Q c as an adjustable parameter, as has been frequently exploited in the literature, all the considered potentials can produce agreement with experiments by varying Q c . The magnitudes of such best fit Q c values are compared with those available in the literature and their physical significance is discussed.

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No Thermal Roughening on Cu(110) up to 900 K

Cited by 144 publications

References 30 publications

Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation

Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation

Thermal dynamics at surfaces

Debye-Waller factor in He→Cu(001) collisions revisited: the role of the interaction potentials

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