Bibliography

1

Richard Zallen, The Physics of Amorphous Solids, John Willey % Sons Inc., 1983.

2

F. Wooten, K. Winer and D. Weaire, Phys. Rev. Lett. 54, 1392 (1985).

3

G. T. Barkema and N. M. Mousseau, Phys. Rev. B62, 4985 (2000).

4

N. E. Cusack, The Physics of Structurally Disordered Matter, IOP Publishing Ltd 1987.

5

P. W. Anderson, Phys. Rev. Lett. 34, 953 (1975);

6

R. A. Street and N. F. Mott, Phys. Rev. Lett. 35 1293 (1975).

7

M. Kastner, D. Adler and H. Fritzsche, Phys. Rev. Lett. 37 1504 (1976).

8

A. V. Kolobov, M. Kondo, H. Oyanagi and A. Matsuda, Phys. Rev. B 58, 12004,(1998); A.V. Kolobov, M. Kondo, H. Oyanagi, R. Durny, A. Matsuda and K. Tanaka, Phys. Rev. B56, R485 (1997).

9

B. R. Djordjevic, M. F. Thorpe and and F. Wooten. Phys. Rev. B52, 5685 (1995).

10

Yuhai Tu, J. Tersoff and G. Grinstein, Phys. Rev. Lett. 81, 4899 (1998).

11

Yuhai Tu, J. Tersoff, Phys. Rev. Lett. 84, 4393 (2000).

12

O. F. Sankey, T. Allen, Phys. Rev. B33, 7164 (1986).

13

P. Vashishta, R. K. Kalia, J. P. Rino, and J. Ebbsjö, Phys. Rev. Lett 62, 1651,(1989).

14

P. Vashishta, R. K. Kalia, J. P. Rino, and J. Ebbsjö, Phys. Rev. B 41, 12197,(1990).

15

R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).

16

P. Hohenberg and W. Kohn Phys. Rev. bf 136 864 (1964); W. Kohn and L. J. Sham, Phys. Rev bf 140 1133 (1965).

17

L. H. Thomas L. H. Proc. Cambridge Phil. Soc. 23, 542, (1927); E. Fermi Z. Phys. 48, 73, (1928).

18

W. H. Press, S. T. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in C, Cambridge University Press.

19

D. S. Johnson, L. A. Mcgeoch, in Local Search in Combinational Optimization ed. by Emile Aarts and J. K. Lenstra, John Wiley & Sons Inc.

20

G. T. Barkema and N. Mousseau, Phys. Rev. Lett. 77 4358 (1996); Comp. Sci. Eng. 1 74 (1999).

21

R. M. Martin, Phys. Rev. B 1 4005 (1970).

22

V. Poborchil, A. Kolobov and Ka. Tanaka, App. Phys. Lett. 74 215 (1999).

23

C. A. Spence and S. R. Elliott, Phys. Rev. B 39 5452 (1989).

24

H. Hisakuni and Ke. Tanaka, Optical Microfabrication of chalcogenide glasses, Science 270 974 (1995).

25

Ke. Tanaka, Photoexpansion in As₂S₃ glass, Phys. Rev. B 57 5163 (1998); K. Tanaka and N. Yoshida, Sol. State Phen. 55 153 (1997).

26

For example, V. M. Lyubin and V. K. Tikhomihrov, J. Non. Cryst. Sol. 135 37 (1991).

27

Private Communication.

28

Xiaodong Zhang and D. A. Drabold, J. Non. Cryst. Sol. (letter) 241 195 (1998).

29

Xiaodong Zhang and D. A. Drabold Phys. Rev. Lett. 83 5042, 1999.

30

Xiaodong Zhang and D. A. Drabold Int. J. Mod. Phys., (to be published)

31

Xiaodong Zhang and D. A. Drabold, Phys. Rev. B, (to be published)

32

Xiaodong Zhang and D. A. Drabold, unpublished.

33

N. F. Mott Electronic proceses in non crystalline materials Oxford, Clarendon (1978).

34

H. Fritzsche, Phil. Mag. B 68 561 (1993).

35

D. H. Vanderbilt and J. D. Joannopolous, Theory of defect states in glassy Se, Phys. Rev. B 22 2927 (1980).

36

S. R. Elliott, J. Non-Cryst. Sol 81 71 (1986).

37

Ke. Tanaka, Current Opinion in Solid State and Materials Sci. 1 567 (1996).

38

K. Shimakawa et al Adv. Phys. 44 475 (1995).

39

P. A. Fedders, Y. Fu and D. A. Drabold, Phys. Rev. Lett. 68 1888 (1992).

40

D. M. Ceperley and B. J. Alder. Phys. Rev. Lett., 45, 566, (1980).

41

J. P. Pedrew and K. Burke, Int. J. Quant. Chem. 57, 309 (1996).

42

J. P. Perdew. In P. Ziesche and H. Eschrig, editors, Electronic Structure of Solids. Akademie Verlag, Berlin, 1991.

43

Martin Fuchs and Matthias Scheffler, Computer Physics Communications. 119 67, (1999).

44

D. R. Hamann Phys. Rev. B40 2980, (1989).

45

N. Troullier, J. L. Martins Phys. Rev. B43 1993, (1991).

46

Xiaodong Zhang and D. A. Drabold, Phys. Rev. B, submitted 10/00.

47

P. Ordejon, D. A. Drabold, R, M. Martin, M. Grumbach, Phys. Rev. B 51 1456 (1995), ibid. 48 14646 (1993).

48

F. Mauri, G. Galli and R. Car, Phys. Rev. B 47 9973 (1993).

49

N. Mazari and D. Vanderbilt, Phys. Rev. B 56 12847 (1997).

50

P. E. Maslen, C. Ochsenfeld, C. A. White, M. S. Lee and M. Head-Gordon, J. Phys, Chem A 102 2215 (1998).

51

W. Kohn, Phys. Rev. Lett. 76 3168 (1996).

52

X.-P. Li, R. W. Nunes, and D. Vanderbilt, Phys. Rev. B 47, 10891 (1993);

53

M. Daw, Phys. Rev. B 47, 10895.

54

Gordon Baym Lectures on Quantum Mechanics The Benjamin/Cummings Publishing Company, Inc., p 424 (1969).

55

E. M. Landau and L. P. Lifshitz, Statistical Physics, part 1, 3rd edition (Pergamon, New York) 1980.

56

Stefan Goedecker, Rev. of Mod. Phys., 71 1085, (1999).

57

P. Ordejón, Comp. Mater. Sci. 12 157 (1998).

58

S. Ismail-Beigi and T. Arias, Phys. Rev. Lett. 82 2127, (1999).

59

J. W. Gibbs, Nature 59 pp 200 and 606 (1898-1899) quoted from R. Courant and D. Hilbert, Methods of Mathematical Physics Vol. 1, Wiley Interscience, New York, (1953), p. 105.

60

J. des Cloizeaux, Phys. Rev. 135 A685 (1964); ibid. A698 (1964).

61

W. Kohn Phys. Rev. 115 809, (1959); W. Kohn Chem. Phys. Lett. 208 167, (1993).

62

W. Kohn Chem. Phys. Lett. 208 167, (1993).

63

U. Stephan and D. Drabold Phys. Rev. B57 6391, (1998).

64

U. Stephan , R. M. Martin and D. Drabold Phys. Rev. B62 6885, (2000).

65

G. T. Barkema and N. Mousseau, Phys. Rev. B 62 4985 (2000); For electron states and localization: M. Durandurdu, D. A. Drabold, and N. Mousseau, ibid. 15307.

66

J. J. Rehr and W. Kohn, Phys. Rev. B 10 448 (1974).

67

W. Kohn and J. R. Onffroy, Phys. Rev. B 8 2495 (1973).

68

R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules. Oxford University Press, Oxford.

69

http://www.plmsc.psu.edu/ www/matsc597c-1997

70

T. Krügner and W. B. Holzapfel, Phys. Rev. Lett. 69, 305 (1992).

71

J. Mort, Physics Today 47, 32 (1994).

72

J. Rowlands and S. Kasap, Physics Today, 50, 24 (1997).

73

E.H. Henninger, R.C. Buschert and L. Heaton, J. Chem. Phys. 46, 586 (1967).

74

J. Robertson, Philos. Mag. B51, 183(1985).

75

C. K. Wong, G. Lucovsky, and J. Bernholc, J. Non-Cryst. Solids bf 97&98, 1171(1987).

76

R. Kaplow, T.A. Rowe and B.L. Averbach, Phys. Rev. 168, 1068 (1968).

77

M. Misawa and K. Suzuki, J. Phys. Soc. Jpn. 44, 1612(1978).

78

M. Misawa and K. Suzuki, J. Phys. Soc. Jpn. 44,

79

R. .A. Street, Hydrogenated Amorphous Silicon. Cambridge University Press p102. (1991).

80

D. Hohl and R. O. Jones, Phys. Rev. B 43 3856 (1991).

81

R. Car and M. Parrinello, Phys. Rev. Lett. 55 2471 (1985).

82

C. Bichara, A. Pellegatti and J. -P. Gaspard, Phys. Rev. 49 6581 (1994).

83

A.A. Demkov, J. Ortega, O.F. Sankey and M. Grumbach, Phys. Rev. 52, 1618 (1995).

84

Otto F. Sankey, D.J. Niklewski, Phys. Rev. B40, 3979 (1989); Otto F. Sankey, D.A. Drabold and G.B. Adams, Bull. Am. Phys. Soc. 36, 924 (1991).

85

R. Bellissent, Nucl. Instr. and Meth. 199, 289 (1982).

86

F. Kirchhoff, G. Kresse and M.J. Gillan, Phys. Rev. B57, 10482 (1998); G. Kresse, F. Kirchoff and M. J. Gillan, Phys. Rev. B 59 3501 (1999) and references therein.

87

E.H. Henninger, R.C. Buschert and L. Heaton, J. Chem. Phys. 46, 586 (1967).

88

M. Cobb and D. A. Drabold, Phys. Rev. B 56 3054 (1997), ibid 54 12162 (1996).

89

D. A. Drabold, P. A. Fedders, S. Klemm and O. F. Sankey, Phys. Rev. Lett. 67 2179 (1991).

90

P. Stumm and D. A. Drabold, Phys. Rev. Lett. 79 677 (1997).

91

P. Stumm, D. A. Drabold and P. A. Fedders, J. App. Phys. 81 1289 (1997).

92

Attila Szabo and Neil S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1989), p.151.

93

P. Ordejón et al. Phys. Rev. B 53 R10441 (1996); D. Sanchez-Portal et al Int. J. Quant. Chem. 65 453 (1997).

94

P. Ordejón et al. Phys. Stat. Sol. 217 b, 335 (2000).

95

Masanori Inui, Kenji Maruyama, Shiníchi Takeda, Shigeru Tamaki and Yoshio Waseda, Journal of the Physical Society of Japan. 63, 1378 (1994).

96

W. Wei, B. W. Corb and B. L. Averbach, J. Non-Crystalline Solids 53, 19 (1982).

97

O. F. Sankey (unpublished).

98

Kamitakahara et al., private communication.

99

W. A. Phillips, U. Buchenau, N. Nücker, A. -J. Dianoux, and W. Petry, Phys. Rev. Lett. 63, 2381(1989).

100

D. A. Drabold and F. A. Fedder, Phys. Rev. B Rapid (in press).

101

G. Kresse, J. Furthmüller, and J. Hafner, Phys. Rev. B 50, 13181 (1994).

102

F. Mauri and R. Car, Phys. Rev. Lett. 75 3166 (1995); J. Song et al, phys. Rev. B 53 8042 (1996); O. Pankratov and M. Scheffler, Phys. Rev. Lett. 71, 2797 (1993); For transport, G. Galli et al. Phys. Rev. Lett. 42 7470 (1990)

103

B. W. Corb , W. D. Wei and B. L. Averbach, J. Non-Crystalline Solids 53, 29 (1982).

104

We promoted either one or two electrons from the HOMO level; relaxations were similar. We report the two electron case here. The single electron promotion is probably best handled at LSDA level.

105

For example, B. Delley, ``DMol, a Standard Tool for Density Funct ional Calculations: Review and Advances". In J. M. Seminario and P. Politzer, eds., ``Modern Density Functional Theory: A Tool for Chemistry", vol. 2 of Theoretical and Computational Chemistry, Amsterdam, 1995. Elsevier Science Publ.

106

D. A. Drabold, S. Nakhmanson, Xiaodong Zhang in Properties and applications of amorphous materials, Ed. by M. F. Thorpe and L. Tichy, NATO ASI Series, Kluwer, Dordrecht (to be published, 2001).

107

K. M. Kandil et al., Phys. Rev. B 51, 17565,(1995).

108

P. Boolchand, J. Grothaus, W. J. Bresser, and P. Suranyi, Phys. Rev. B 25, 2975,(1982).

109

C. Massobrio, A. Pasquarello, and R. Car, Phys. Rev. Lett. 80, 2342, (1998).

110

I. Petri, P. S. Salmon and H. E. Fischer, Phys. Rev. Lett. 84, 2413, (2000).

111

See for example, P. Boolchand in ``Insulating and semiconducting glasses", World Scientific, Singapore (2000). p 191, especially section 4.1

112

S. Ovshinsky in ``Insulating and semiconducting glasses", World Scientific, Singapore (2000). p 729.

113

I. T. Penfold and P. S. Salmon, Phys. Rev. Lett. 67, 97, (1991).

114

T. E. Faber and J. M. Ziman, Phil. Mag. 11, 153,(1965).

115

A. Bhatia and D. Thornton, Phys. Rev. B 2, 3004,(1970)

116

K. S. Krishnan and A. Bhatia, Proc. Nat. Acad. Sci. india 14, 154,(1944)

117

C. Massobrio, A. Pasquarello and R. Car, Comp. Mats. Sci. 17 115 (2000).

118

O. F. Sankey, A. A. Demkov, W. Windl, J. H. Fritsch, J. P. Lewis, and M. Fuentes-Cabrera, Int. Journ. of Quant. Chem. 69, 327 (1998).

119

For a recent discussion, S. R. Elliott, Phys. Rev. Lett. 67 711 (1991); S. R. Elliot, Nature 354 445 (1991).

120

S. Susman et al., J. Non-Cryst. Solids 125, 168 (1990).

121

Jianjun Dong, and D. A. Drabold Phys. Rev. B 57, 15591,(1998)

122

C. A. Davis, K. M. Knowles, and G. A. J. Amaratunga, Suf Coat. Technol. 76-77. 316,1995.

123

J. Dong and D. A. Drabold, Phys. Rev. Lett. 80, 1928, 1998.

124

Z. U. Borisova, Glassy Semiconductors Plenum, New York (1981).

125

B. Effey and R. L. Cappelletti, Phys. Rev. B 59 4119 (1999).

126

P. Hari et al J. Non-Cryst. Sol. 200 736 (1996).

127

J. Li, D. A. Drabold , Phys. Rev. B, (2000)

128

N. de la Rosa et al, Phys. Rev. B 33 4094 (1986).

129

G. N. Greaves and E. A. Davis, Philos. Mag. 29, 1201 (1974).

130

X. Wyckoff, in Crystal Structure (Wiley, New York, 1963).

131

L. Ouyang and W. .Y. Ching, Phys. Rev. B54, R15594 (1996).

132

N. Mousseau, Phys. Rev. B 56, 14190 (1997).

133

For example, O. Gerben and L. Pusztai, Phys. Rev. B 50 14136 (1994).

1