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6
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-
0002060540
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-
For example, S. G. Davison and J. D. Levine, Solid State Phys. 25, 1 (1970); D. J. Chadi and M. L. Cohen, Phys. Status Solidi B 68, 405 (1975); Y. R. Yang and C. B. Duke, Phys. Rev. B 36, 2763 (1987).
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(1970)
Solid State Phys.
, vol.25
, pp. 1
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-
Davison, S.G.1
Levine, J.D.2
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7
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-
0016486474
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-
For example, S. G. Davison and J. D. Levine, Solid State Phys. 25, 1 (1970); D. J. Chadi and M. L. Cohen, Phys. Status Solidi B 68, 405 (1975); Y. R. Yang and C. B. Duke, Phys. Rev. B 36, 2763 (1987).
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(1975)
Phys. Status Solidi B
, vol.68
, pp. 405
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-
Chadi, D.J.1
Cohen, M.L.2
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8
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-
0000819062
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-
For example, S. G. Davison and J. D. Levine, Solid State Phys. 25, 1 (1970); D. J. Chadi and M. L. Cohen, Phys. Status Solidi B 68, 405 (1975); Y. R. Yang and C. B. Duke, Phys. Rev. B 36, 2763 (1987).
-
(1987)
Phys. Rev. B
, vol.36
, pp. 2763
-
-
Yang, Y.R.1
Duke, C.B.2
-
14
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-
0003406742
-
-
Wiley, New York, or Fig. 9, p. 176
-
2, which is inversely proportional to the effective mass, is much larger at a band gap edge than is the curvature for a free electron. A k·p-based formula for the effective mass m is derived in Ref. 11 and illustrates the factors influencing m.
-
(1981)
Introduction to Solid State Physics, 6th Ed.
, pp. 193
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-
Kittel, C.1
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15
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-
0004104864
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-
Wiley, New York, (papers of the Chicago group 1949-1961), and references cited therein
-
For example, J. R. Platt, K. Ruedenberg, C. W. Scherr, N. S. Ham, H. Labhart, and W. Lichten, Free-Electron Theory of Conjugated Molecules: A Source Book (Wiley, New York, 1964) (papers of the Chicago group 1949-1961), and references cited therein.
-
(1964)
Free-electron Theory of Conjugated Molecules: A Source Book
-
-
Platt, J.R.1
Ruedenberg, K.2
Scherr, C.W.3
Ham, N.S.4
Labhart, H.5
Lichten, W.6
-
29
-
-
0343138701
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-
note
-
1, since <ψ|ψ>=1. Thus the numerator in the right-hand side of Eq. (14) becomes that of Eq. (15).
-
-
-
-
30
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-
0038477179
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-
A. A. Stuchebrukhov, J. Chem. Phys. 105, 10819 (1996), which also, in effect, extends Bardeen's method.
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(1996)
J. Chem. Phys.
, vol.105
, pp. 10819
-
-
Stuchebrukhov, A.A.1
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31
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-
0343138702
-
-
note
-
1 for s, p, and d orbitals are less than 0.007 for the cases considered in this paper.
-
-
-
-
32
-
-
0343138703
-
-
note
-
2 are neglected, tacitly or explicitly (Refs. 27,28).
-
-
-
-
33
-
-
0342704393
-
Extended Hückel molecular, crystal and properties package
-
2+ ion is obtained by an extended Hückel calculation using M. H. Whangbo et al., Extended Hückel Molecular, Crystal and Properties Package. QCPE Program No. 571.
-
QCPE Program No. 571
, vol.571
-
-
Whangbo, M.H.1
-
34
-
-
0343574529
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-
note
-
The minima of E(k) for Si shows ellipticity and two different effective masses can be distinguished, parallel and orthogonal to the axis (100). Since we are interested in the electron transfer across the (100) surface, the mass parallel to the (100) axis is used.
-
-
-
-
35
-
-
0008348102
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-
Science Books International, Boston
-
Because of the asymmetry of the molecules studied in the experiments, there is some arbitrariness in estimating their radii and their closest distance to the semiconductor surface. This could bring in some error in estimating the electron transfer rate constant. The van der Waals' radii used in this study are taken from D. Freifelder, Physical Chemistry for Students of Biology and Chemistry (Science Books International, Boston, 1982), p. 60: H (1.2 Å), O (1.4 Å), and C (1.5 Å). The SiH (1.55 Å) and PO (1.84 Å) bond lengths are taken from D. F. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry (Freeman, New York, 1990), p. 68.
-
(1982)
Physical Chemistry for Students of Biology and Chemistry
, pp. 60
-
-
Freifelder, D.1
-
36
-
-
0004244010
-
-
Freeman, New York
-
Because of the asymmetry of the molecules studied in the experiments, there is some arbitrariness in estimating their radii and their closest distance to the semiconductor surface. This could bring in some error in estimating the electron transfer rate constant. The van der Waals' radii used in this study are taken from D. Freifelder, Physical Chemistry for Students of Biology and Chemistry (Science Books International, Boston, 1982), p. 60: H (1.2 Å), O (1.4 Å), and C (1.5 Å). The SiH (1.55 Å) and PO (1.84 Å) bond lengths are taken from D. F. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry (Freeman, New York, 1990), p. 68.
-
(1990)
Inorganic Chemistry
, pp. 68
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-
Shriver, D.F.1
Atkins, P.W.2
Langford, C.H.3
-
37
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-
0000212154
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-
R. D. Shannon and C. T. Prewitt, Acta Crystallogr., Sect. B: Struct. Crystallogr, Cryst. Chem. 25, 925 (1969).
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(1969)
Acta Crystallogr., Sect. B: Struct. Crystallogr, Cryst. Chem.
, vol.25
, pp. 925
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-
Shannon, R.D.1
Prewitt, C.T.2
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38
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-
0004227051
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-
Prentice-Hall, New Jersey
-
G. L. Miessler and D. A. Tarr, Inorganic Chemistry (Prentice-Hall, New Jersey, 1999); A. Haaland, Acc. Chem. Res. 12, 415 (1979); J. Giordan, J. H. Moore, and J. A. Tossel, ibid. 19, 281 (1979); E. Rühl and A. P. Hitchcock, J. Am. Chem. Soc. 111, 5069 (1989).
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(1999)
Inorganic Chemistry
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-
Miessler, G.L.1
Tarr, D.A.2
-
39
-
-
33845561125
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-
G. L. Miessler and D. A. Tarr, Inorganic Chemistry (Prentice-Hall, New Jersey, 1999); A. Haaland, Acc. Chem. Res. 12, 415 (1979); J. Giordan, J. H. Moore, and J. A. Tossel, ibid. 19, 281 (1979); E. Rühl and A. P. Hitchcock, J. Am. Chem. Soc. 111, 5069 (1989).
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(1979)
Acc. Chem. Res.
, vol.12
, pp. 415
-
-
Haaland, A.1
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40
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-
33845374193
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-
G. L. Miessler and D. A. Tarr, Inorganic Chemistry (Prentice-Hall, New Jersey, 1999); A. Haaland, Acc. Chem. Res. 12, 415 (1979); J. Giordan, J. H. Moore, and J. A. Tossel, ibid. 19, 281 (1979); E. Rühl and A. P. Hitchcock, J. Am. Chem. Soc. 111, 5069 (1989).
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(1979)
Acc. Chem. Res.
, vol.19
, pp. 281
-
-
Giordan, J.1
Moore, J.H.2
Tossel, J.A.3
-
41
-
-
0001743590
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-
G. L. Miessler and D. A. Tarr, Inorganic Chemistry (Prentice-Hall, New Jersey, 1999); A. Haaland, Acc. Chem. Res. 12, 415 (1979); J. Giordan, J. H. Moore, and J. A. Tossel, ibid. 19, 281 (1979); E. Rühl and A. P. Hitchcock, J. Am. Chem. Soc. 111, 5069 (1989).
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(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 5069
-
-
Rühl, E.1
Hitchcock, A.P.2
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42
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-
0342269205
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-
private communication
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N. Lewis group (private communication).
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Lewis, N.1
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