Substrate mediation of the interaction between adatoms on graphite: Discrete lattice model

Hye Young Kim; Milton W. Cole

doi:10.1016/0039-6028(94)91259-9

Substrate mediation of the interaction between adatoms on graphite: Discrete lattice model

Hye Young Kim, Milton W. Cole

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Abstract

A study is presented of the substrate-mediated dispersion interaction ΔV between two adatoms on graphite. Correspondence is made between one contribution to the McLachlan expression (ΔV_M) (appropriate to a continuum substrate) and a discrete lattice result ΔV⁽³⁾ for the three-body, triple dipole, dispersion energy involving the adatoms and the C atoms. The numerical results for these two functions agree closely for distances relevant to adsorption if the adatom position L is referred to an effective image plane at z₀ = 1 A ̊ above the outermost C plane. With this choice, the complete McLachlan energy leads to a ∼10% reduction in the well depth of the interatomic potential.

Original language	English (US)
Pages (from-to)	257-264
Number of pages	8
Journal	Surface Science
Volume	194
Issue number	1-2
DOIs	https://doi.org/10.1016/0039-6028(94)91259-9
State	Published - 1988

All Science Journal Classification (ASJC) codes

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

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10.1016/0039-6028(94)91259-9

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@article{e180d7936bb8421b8321dc050171079d,

title = "Substrate mediation of the interaction between adatoms on graphite: Discrete lattice model",

abstract = "A study is presented of the substrate-mediated dispersion interaction ΔV between two adatoms on graphite. Correspondence is made between one contribution to the McLachlan expression (ΔVM) (appropriate to a continuum substrate) and a discrete lattice result ΔV(3) for the three-body, triple dipole, dispersion energy involving the adatoms and the C atoms. The numerical results for these two functions agree closely for distances relevant to adsorption if the adatom position L is referred to an effective image plane at z0 = 1 A ̊ above the outermost C plane. With this choice, the complete McLachlan energy leads to a ∼10% reduction in the well depth of the interatomic potential.",

author = "Kim, {Hye Young} and Cole, {Milton W.}",

note = "Funding Information: Helpful discussions with D. Nicholson, F. Toigo and W.A. Steele are gratetully acknowledged. This research was supported in part by NSF Grant DMR-8419261.",

year = "1988",

doi = "10.1016/0039-6028(94)91259-9",

language = "English (US)",

volume = "194",

pages = "257--264",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier B.V.",

number = "1-2",

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TY - JOUR

T1 - Substrate mediation of the interaction between adatoms on graphite

T2 - Discrete lattice model

AU - Kim, Hye Young

AU - Cole, Milton W.

N1 - Funding Information: Helpful discussions with D. Nicholson, F. Toigo and W.A. Steele are gratetully acknowledged. This research was supported in part by NSF Grant DMR-8419261.

PY - 1988

Y1 - 1988

N2 - A study is presented of the substrate-mediated dispersion interaction ΔV between two adatoms on graphite. Correspondence is made between one contribution to the McLachlan expression (ΔVM) (appropriate to a continuum substrate) and a discrete lattice result ΔV(3) for the three-body, triple dipole, dispersion energy involving the adatoms and the C atoms. The numerical results for these two functions agree closely for distances relevant to adsorption if the adatom position L is referred to an effective image plane at z0 = 1 A ̊ above the outermost C plane. With this choice, the complete McLachlan energy leads to a ∼10% reduction in the well depth of the interatomic potential.

AB - A study is presented of the substrate-mediated dispersion interaction ΔV between two adatoms on graphite. Correspondence is made between one contribution to the McLachlan expression (ΔVM) (appropriate to a continuum substrate) and a discrete lattice result ΔV(3) for the three-body, triple dipole, dispersion energy involving the adatoms and the C atoms. The numerical results for these two functions agree closely for distances relevant to adsorption if the adatom position L is referred to an effective image plane at z0 = 1 A ̊ above the outermost C plane. With this choice, the complete McLachlan energy leads to a ∼10% reduction in the well depth of the interatomic potential.

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U2 - 10.1016/0039-6028(94)91259-9

DO - 10.1016/0039-6028(94)91259-9

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SN - 0039-6028

VL - 194

SP - 257

EP - 264

JO - Surface Science

JF - Surface Science

IS - 1-2

ER -

Substrate mediation of the interaction between adatoms on graphite: Discrete lattice model

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