Adsorbed atoms (adatoms) and vacancies have a significant role to play in the physics of surfaces and the mechanisms of film growth on a substrate. This paper investigates the effect of applied or residual strain on the energetic interaction between pairs of adatoms and vacancies. The analysis is based on a continuum-level point-defect model, where adatoms and vacancies have strain-dependent properties. Atomistic calculations are used to evaluate the defect properties for Si(111). The result is used as input for the defect model in order to investigate the strength and character of the interaction versus strain, separation distance, and relative orientation of the defects. It is found that strain may cause the defects to align in certain direction and modulate their interaction between repulsion and attraction, providing a mechanism for controlled building of nanostructures.

1.
Kallinteris
,
G. C.
,
Evangelakis
,
G. A.
, and
Papanicolaou
,
N. I.
, 1996, “
Molecular Dynamics Study of the Vibrational and Transport Properties of Copper adatoms on the (111) Copper Surface; Comparison with the (001) Face
,”
Surf. Sci.
0039-6028,
369
, pp.
185
198
.
2.
Evangelakis
,
G. A.
, and
Papanicolaou
,
N. I.
, 1996, “
Adatom Self-Diffusion Processes on (001) Copper Surface by Molecular Dynamics
,”
Surf. Sci.
0039-6028,
347
, pp.
376
386
.
3.
Sabiryanov
,
R. F.
,
et al.
, 2003, “
Surface Diffusion and Growth of Patterned Nanostructures on Strained Surfaces
,”
Phys. Rev. B
0163-1829,
67
, p.
125412
.
4.
Larsson
,
M. I.
, 2001, “
Kinetic Monte Carlo Simulations of Adatom Island Decay on Cu(111)
,”
Phys. Rev. B
0163-1829,
64
, p.
115428
.
5.
Larsson
,
M. I.
,
Sabiryanov
R. F.
,
Cho
,
K.
, and
Clemens
,
B. M.
, 2003, “
Surface Strain Effects on Adatom Kinetics and Self-Assembly
,”
Surf. Sci.
0039-6028,
536
, pp.
L389
L395
.
6.
Lau
,
K. H.
, and
Kohn
,
W.
, 1977, “
Elastic Interaction of Two Atoms Adsorbed on A Solid Surface
,”
Surf. Sci.
0039-6028,
65
, pp.
607
618
.
7.
Marchenko
,
V. I.
, and
Parchin
,
A. Y.
, 1980, “
Elastic Properties of Crystal Surface
,”
Sov. Phys. JETP
0038-5646,
52
, pp.
129
131
.
8.
Shilkrot
,
L. E.
, and
Srolovitz
,
D. J.
, 1996, “
Elastic Field of a Surface Step: Atomistic Simulations and Anisotropic Elastic Theory
,”
Phys. Rev. B
0163-1829,
53
, p.
11120
.
9.
Kouris
,
D.
,
Peralta
,
A.
, and
Sieradzki
,
K.
, 2000, “
Surface Islands and Their Elastic Interaction with Adatoms
,”
Surf. Sci.
0039-6028,
445
, pp.
420
429
.
10.
Peralta
,
A.
,
Kouris
,
D.
,
Knap
,
J.
, and
Sieradzki
,
K.
, 1998, “
Eigenstrains and the Elastic Field of an Adatom
,”
J. Mech. Phys. Solids
0022-5096,
46
, pp.
1557
1579
.
11.
Kukta
,
R. V.
, and
Bhattacharya
,
K.
, 2002. “
A Micromechanical Model of Surface Steps
,”
J. Mech. Phys. Solids
0022-5096,
50
, pp.
615
649
.
12.
Kukta
,
R. V.
,
Peralta
,
A.
, and
Kouris
,
D.
, 2002, “
Elastic Interaction of Surface Steps: Effect of Atomic-Scale Roughness
,”
Phys. Rev. Lett.
0031-9007,
88
, p.
186102
.
13.
Kukta
,
R. V.
,
Kouris
,
D.
, and
Sieradzki
,
K.
, 2003, “
Adatoms and Their Relation to Surface Stress
,”
J. Mech. Phys. Solids
0022-5096,
51
(
7
), pp.
1243
1266
.
14.
Kukta
,
R. V.
,
Liu
,
P.
, and
Kouris
,
D.
, 2003, “
On the Dependence of Adatom Interactions on Strain
,”
J. Mech. Phys. Solids
0022-5096,
51
(
12
), pp.
2149
2167
.
15.
Sander
,
D.
,
Linke
,
U.
, and
Ibach
,
H.
, 1992, “
Adsorbate-Induced Surface Stress: Surface, Oxygen and Carbon on Ni(100)
,”
Surf. Sci.
0039-6028,
272
, pp.
318
325
.
16.
Ibach
,
H.
, 1994, “
Adsorbate-Induced Surface Stress
,”
J. Vac. Sci. Technol. A
0734-2101
12
(
4
), pp.
2240
2245
.
17.
Asaro
,
R. J.
, and
Tiller
,
W. A.
, 1972, “
Interface Morphology Development during Stress Corrosion Cracking—Part I. Via Surface Diffusion
.”
Metall. Trans.
0026-086X
3
, pp.
1789
1796
.
18.
Grinfeld
,
M. A.
, 1993, “
The Stress Driven Instability in Elastic Crystals: Mathematical Models and Physical Manifestations
,”
J. Nonlinear Sci.
0938-8794
3
, pp.
35
83
.
19.
Freund
,
L. B.
, and
Jonsdittir
,
F.
, 1993, “
Instability of a Biaxially Stressed Thin Film on a Substrate Due to Material Diffusion Over Its Free Surface
,”
J. Mech. Phys. Solids
0022-5096,
41
, pp.
1245
1263
.
20.
Kukta
,
R. V.
, and
Freund
,
L. B.
, 1997, “
Minimum Energy Configuration of Epitaxial Material Clusters on a Lattice-Mismatched Substrate
,”
J. Mech. Phys. Solids
0022-5096,
45
, pp.
1835
1860
.
21.
Shilkrot
,
L. E.
, and
Srolovitz
,
D. J.
, 1997, “
Anisotropic Elastic Analysis and Atomistic Simulation of Adatom-Adatom Interactions on Solid Surfaces
,”
J. Mech. Phys. Solids
0022-5096,
45
, pp.
1861
1873
.
22.
Tersoff
,
J.
, 1988, “
New Empirical Approach for the Structure and Energy of Covalent Systems
,”
Phys. Rev. B
0163-1829,
37
, pp.
6991
–7000.
23.
Johnson
,
R. A.
, 1989, “
Alloy Models with the Embedded-Atom Method
,”
Phys. Rev. B
0163-1829,
39
, pp.
12554
–12559.
24.
Johnson
,
R. A.
, 1988, “
Analytic Nearest-Neighbor Model for fcc Metals
,”
Phys. Rev. B
0163-1829,
37
, pp.
3924
–3931.
25.
Parrinello
,
M.
, and
Rahman
,
A.
, 1981, “
Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
,”
J. Appl. Phys.
0021-8979,
52
, pp.
7182
–7190.
26.
Parrinello
,
M.
, and
Rahman
,
A.
, 1980, “
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
,”
Phys. Rev. Lett.
0031-9007,
45
, pp.
1196
–1199.
You do not currently have access to this content.