A new discrete Monte Carlo technique suitable for simulations of the kinetics of heteroepitaxial crystal growth has been developed and tested on a 103 atom system. The technique offers sizable speed advantages over previous simulation methods and allows for realistic three‐dimensional studies of the kinetics of both pseudomorphic and misfit growth modes and of the transformation between them. Elements of the method are of general utility and can also be used to substantially improve the efficiency of continuous‐space Monte Carlo and molecular dynamics simulations of growth and other atomic transformations.

1.
For reviews, see e.g., J. W. Matthews, in Dislocations in Solids, edited by R. N. Nabarro (North‐Holland, Amsterdam, 1977), Vol. 2, p. 462;
J. H.
van der Merwe
,
J.
Woltersdorf
, and
W. A.
Jesser
,
Mater. Sci. Eng.
81
,
1
(
1986
).
2.
B. W.
Dodson
,
Phys. Rev. B
35
,
5558
(
1987
).
3.
B. W.
Dodson
,
Surf. Sci.
184
,
1
(
1987
).
4.
A. S.
Nandedkar
and
J.
Narayan
,
Philos. Mag. A
56
,
625
(
1987
).
5.
M. H.
Grabow
and
G. H.
Gilmer
,
Mater. Res. Soc. Symp. Proc.
94
,
15
(
1987
).
6.
M. H.
Grabow
and
G. H.
Gilmer
,
Surf. Sci.
194
,
333
(
1988
).
7.
A. T.
Fiory
,
J. C.
Bean
,
L. C.
Feldman
, and
J. K.
Robinson
,
J. Appl. Phys.
56
,
1227
(
1984
).
8.
F. F.
Abraham
and
G. M.
White
,
J. Appl. Phys.
41
,
1841
(
1970
).
9.
V. V.
Solovev
and
V. T.
Borisov
,
Sov. Phys. Dokl.
17
,
8
(
1972
).
10.
S. W. H.
de Haan
,
V. J. A.
Meeussen
,
B. P.
Veltman
,
P.
Bennema
,
C.
van Leeuwen
, and
G. H.
Gilmer
,
J. Cryst. Growth
24/25
,
491
(
1974
).
11.
B. W.
Dodson
and
P. A.
Taylor
,
Phys. Rev. B
34
,
2112
(
1986
).
12.
M.
Schneider
,
A.
Rahman
, and
I. K.
Schuller
,
Phys. Rev. B
34
,
1802
(
1986
).
13.
M.
Schneider
,
A.
Rahman
, and
I. K.
Schuller
,
Phys. Rev. Lett.
55
,
604
(
1985
).
14.
M.
Schneider
,
I. K.
Schuller
, and
A.
Rahman
,
Phys. Rev. B
36
,
1340
(
1987
).
15.
P. A.
Taylor
and
B. W.
Dodson
,
Phys. Rev. B
36
,
1355
(
1987
).
16.
H. J. Leamy, G. H. Gilmer, and A. G. Dirks, in Current Topics in Materials Science, edited by E. Kaldis (North–Holland, Amsterdam, 1980), Vol. 6, p. 309.
17.
Note that in the infinite time limit all zone sizes lead to identical results.
18.
The small occupancy of the substrate lattice in the first deposited layer would probably disappear if additional lattices were used in order to increase the density of available lattice points and thereby lower the activation barriers.
19.
F.
Stillinger
and
T.
Weber
,
Phys. Rev. B
31
,
5262
(
1985
).
20.
R.
Biswas
and
D. R.
Hamann
,
Phys. Rev. Lett.
55
,
2001
(
1985
).
21.
J.
Tersoff
,
Phys. Rev. Lett.
56
,
6321
(
1986
).
22.
J. R.
Chelikowsky
,
J. C.
Phillips
,
M.
Kamal
, and
M.
Strauss
,
Phys. Rev. Lett.
62
,
292
(
1989
).
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