W adatom-adatom interactions on the W(110) surface

Wei Xu; James B. Adams

doi:10.1016/0039-6028(95)00653-2

W adatom-adatom interactions on the W(110) surface

Wei Xu, James B. Adams

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

We report a theoretical study of W adatom-adatom interactions on the W(110) surface, using a modified fourth moment approximation to tight-binding theory. The binding sites and interaction energies of adatom pairs on the (110) surface are determined. The present calculations indicate a strong angular anisotropy for adatom-adatom interactions and oscillatory behavior of interactions along a given direction which is consistent with recent field ion microscopy (FIM) observations [Watanabe and Ehrlich, Phys. Rev. Lett. 62 (1989) 1146]. A simple bond coordination argument has been proposed to explain the short range interactions. For long ranges, the interaction is slightly repulsive, due to indirect elastic interactions via the substrate.

Original language	English (US)
Pages (from-to)	241-246
Number of pages	6
Journal	Surface Science
Volume	339
Issue number	3
DOIs	https://doi.org/10.1016/0039-6028(95)00653-2
State	Published - Oct 1 1995
Externally published	Yes

Keywords

Adatoms
Atom-solid interactions
Clusters
Computer simulations
Construction and use of effective interatomic interactions
Diffusion and migration
Single crystal surfaces
Surface diffusion
Tungsten

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

Access to Document

10.1016/0039-6028(95)00653-2

Cite this

@article{faf39e60832840609a406fffc1c7210a,

title = "W adatom-adatom interactions on the W(110) surface",

abstract = "We report a theoretical study of W adatom-adatom interactions on the W(110) surface, using a modified fourth moment approximation to tight-binding theory. The binding sites and interaction energies of adatom pairs on the (110) surface are determined. The present calculations indicate a strong angular anisotropy for adatom-adatom interactions and oscillatory behavior of interactions along a given direction which is consistent with recent field ion microscopy (FIM) observations [Watanabe and Ehrlich, Phys. Rev. Lett. 62 (1989) 1146]. A simple bond coordination argument has been proposed to explain the short range interactions. For long ranges, the interaction is slightly repulsive, due to indirect elastic interactions via the substrate.",

keywords = "Adatoms, Atom-solid interactions, Clusters, Computer simulations, Construction and use of effective interatomic interactions, Diffusion and migration, Single crystal surfaces, Surface diffusion, Tungsten",

author = "Wei Xu and Adams, {James B.}",

note = "Funding Information: We are indebtedt o K.M. Glassford,G . Ehrlich and S.C. Wang for helpful discussionas nd suggestions. This work was supportedb y the US Department of Energy, Office of Basic Energy Sciences through the Materials ResearchL aboratorya t the University of Illinois under the grant DE-A(O)-76ER01198.W e would like to thank the National Center for SupercomputinAgp plicationf or use of their CRAY-YMP.",

year = "1995",

month = oct,

day = "1",

doi = "10.1016/0039-6028(95)00653-2",

language = "English (US)",

volume = "339",

pages = "241--246",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier",

number = "3",

}

TY - JOUR

T1 - W adatom-adatom interactions on the W(110) surface

AU - Xu, Wei

AU - Adams, James B.

N1 - Funding Information: We are indebtedt o K.M. Glassford,G . Ehrlich and S.C. Wang for helpful discussionas nd suggestions. This work was supportedb y the US Department of Energy, Office of Basic Energy Sciences through the Materials ResearchL aboratorya t the University of Illinois under the grant DE-A(O)-76ER01198.W e would like to thank the National Center for SupercomputinAgp plicationf or use of their CRAY-YMP.

PY - 1995/10/1

Y1 - 1995/10/1

N2 - We report a theoretical study of W adatom-adatom interactions on the W(110) surface, using a modified fourth moment approximation to tight-binding theory. The binding sites and interaction energies of adatom pairs on the (110) surface are determined. The present calculations indicate a strong angular anisotropy for adatom-adatom interactions and oscillatory behavior of interactions along a given direction which is consistent with recent field ion microscopy (FIM) observations [Watanabe and Ehrlich, Phys. Rev. Lett. 62 (1989) 1146]. A simple bond coordination argument has been proposed to explain the short range interactions. For long ranges, the interaction is slightly repulsive, due to indirect elastic interactions via the substrate.

AB - We report a theoretical study of W adatom-adatom interactions on the W(110) surface, using a modified fourth moment approximation to tight-binding theory. The binding sites and interaction energies of adatom pairs on the (110) surface are determined. The present calculations indicate a strong angular anisotropy for adatom-adatom interactions and oscillatory behavior of interactions along a given direction which is consistent with recent field ion microscopy (FIM) observations [Watanabe and Ehrlich, Phys. Rev. Lett. 62 (1989) 1146]. A simple bond coordination argument has been proposed to explain the short range interactions. For long ranges, the interaction is slightly repulsive, due to indirect elastic interactions via the substrate.

KW - Adatoms

KW - Atom-solid interactions

KW - Clusters

KW - Computer simulations

KW - Construction and use of effective interatomic interactions

KW - Diffusion and migration

KW - Single crystal surfaces

KW - Surface diffusion

KW - Tungsten

UR - http://www.scopus.com/inward/record.url?scp=0029392225&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0029392225&partnerID=8YFLogxK

U2 - 10.1016/0039-6028(95)00653-2

DO - 10.1016/0039-6028(95)00653-2

M3 - Article

AN - SCOPUS:0029392225

SN - 0039-6028

VL - 339

SP - 241

EP - 246

JO - Surface Science

JF - Surface Science

IS - 3

ER -

W adatom-adatom interactions on the W(110) surface

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this