-
1
-
-
0025256695
-
-
See for instance, T. Irisawa, Y. Arima, and T. Kuroda, J. Cryst. Growth 99, 491 (1990).
-
(1990)
J. Cryst. Growth
, vol.99
, pp. 491
-
-
Irisawa, T.1
Arima, Y.2
Kuroda, T.3
-
3
-
-
84884095844
-
-
For shorter introductions to the topic, see D.D. Vvedensky, T. Shitara, P. Smilauer, T. Kaneko, and A. Zangwill, in Common Themes and Mechanisms of Epitaxial Growth, MRS Symposia Proceedings No. 312 (Materials Research Society, Pittsburgh, 1988), p. 3.;
-
A number of reviews on this method have been written. See A. Madhukar and S.V. Ghaisis, CRC Crit. Rev. Solid State Mater. Sci. 14, 1 (1988). For shorter introductions to the topic, see D.D. Vvedensky, T. Shitara, P. Smilauer, T. Kaneko, and A. Zangwill, in Common Themes and Mechanisms of Epitaxial Growth, MRS Symposia Proceedings No. 312 (Materials Research Society, Pittsburgh, 1988), p. 3.;
-
(1988)
CRC Crit. Rev. Solid State Mater. Sci.
, vol.14
, pp. 1
-
-
Madhukar, A.1
Ghaisis, S.2
-
8
-
-
0028762044
-
-
T. Ito, K. Shiraishi, and T. Ohno, Appl. Surf. Sci. 82, 208 (1994), and references therein.
-
(1994)
Appl. Surf. Sci.
, vol.82
, pp. 208
-
-
Ito, T.1
Shiraishi, K.2
Ohno, T.3
-
9
-
-
0000742769
-
-
G. Brocks, P.J. Kelly, and R. Car, Phys. Rev. Lett. 66, 1729 (1991) [ab initio pseudopotential Car-Parrinello calculation of Si adatom energy surface on Si(100)];
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 1729
-
-
Brocks, G.1
Kelly, P.2
Car, R.3
-
10
-
-
36449004359
-
-
Kenji Shiraishi, Appl. Phys. Lett. 60, 1363 (1992) [pseudopotential calculation of Ga adatom energy surface ((Formula presented) potential for the electron exchange-correlation potential)];
-
(1992)
Appl. Phys. Lett.
, vol.60
, pp. 1363
-
-
-
11
-
-
0029308692
-
-
A. Palma et. al J. Cryst. Growth 150, 180 (1995) [a parametrized Lifson-Warshel valence-force field calculation of Ga adatom on GaAs(001)].
-
(1995)
J. Cryst. Growth
, vol.150
, pp. 180
-
-
Palma, A.1
-
13
-
-
35949018705
-
-
E. Wimmer, H. Krakauer, M. Weinert, and A.J. Freeman, Phys. Rev. B 24, 864 (1981).
-
(1981)
Phys. Rev. B
, vol.24
, pp. 864
-
-
Wimmer, E.1
Krakauer, H.2
Weinert, M.3
Freeman, A.4
-
19
-
-
11944256577
-
-
M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.1
Teter, M.2
Allan, D.3
Arias, T.4
Joannopoulos, J.5
-
25
-
-
0001667416
-
-
N.A.W. Holzwarth, G.E. Matthews, R.B. Dunning, A.R. Tackett, and J. Zeng, Phys. Rev. B 55, 2005 (1997).
-
(1997)
Phys. Rev. B
, vol.55
, pp. 2005
-
-
Holzwarth, N.1
Matthews, G.2
Dunning, R.3
Tackett, A.4
Zeng, J.5
-
26
-
-
0001585664
-
-
Using a plane-wave cutoff of 30 Ry and a Brillouin zone integration scheme involving a regular grid of 64 (Formula presented) points in the complete Brillouin zone of the usual 2 atom fcc unit cell, the PAW method yielded a lattice constant for bulk GaAs of 5.61 Å, just 0.7% less than the experimental lattice constant and compares well with other calculations [see M. Alouani and J. M. Wills, Phys. Rev. B 54, 2480 (1996) and references therein;
-
(1996)
Phys. Rev. B
, vol.54
, pp. 2480
-
-
Alouani, M.1
Wills, J.2
-
28
-
-
0000139382
-
-
terms of reduced coordinates (the raw coordinates divided by the lattice constants used in the respective calculations) our coordinates deviated from those of Froyen by 0.6% on average. The maximum deviation is 2.4
-
More detail of Froyen’s calculation can be found in J.E. Bernard, S. Froyen, and A. Zunger, Phys. Rev. B 44, 11 178 (1991). In terms of reduced coordinates (the raw coordinates divided by the lattice constants used in the respective calculations) our coordinates deviated from those of Froyen by 0.6% on average. The maximum deviation is 2.4%.
-
(1991)
Phys. Rev. B
, vol.44
, pp. 11178
-
-
Bernard, J.1
Froyen, S.2
Zunger, A.3
-
29
-
-
0000643245
-
-
D.K. Biegelsen, R.D. Bringans, J.E. Northrup, and L.E. Swartz, Phys. Rev. B 41, 5701 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 5701
-
-
Biegelsen, D.1
Bringans, R.2
Northrup, J.3
Swartz, L.4
-
31
-
-
0001559373
-
-
A.C. Warren, J.M. Woodall, P.D. Kirchner, X. Yin, F. Pollak, M.R. Melloch, N. Otsuka, and K. Mahalingam, Phys. Rev. B 46, 4617 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 4617
-
-
Warren, A.1
Woodall, J.2
Kirchner, P.3
Yin, X.4
Pollak, F.5
Melloch, M.6
Otsuka, N.7
Mahalingam, K.8
-
34
-
-
0000999362
-
-
We have used Clarke and Vvedensky’s harmonic oscillator approximation for (Formula presented), see S. Clarke and D.D. Vvedensky, Phys. Rev. Lett. 58, 2235 (1987).
-
(1987)
Phys. Rev. Lett.
, vol.58
, pp. 2235
-
-
Clarke, S.1
Vvedensky, D.2
|