Direct and indirect band gap types in one-dimensional conjugated or stacked organic materials

Theoretical Chemistry Accounts

Volumn 102, Issue 1-6, 1999, Pages 23-32

  Seo, Dong Kyun ^a   Hoffmann, Roald ^a  

^a and Materials Science Center   (United States)

Author keywords

Band gap types; Electroluminescence; Molecular orbital theory; Organic semiconductors; Photoconductivity

Indexed keywords

EID: 0033450581     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050469     Document Type: Article

References (88)

1. Kittel C (1986) Introduction to solid state physics, 6th edn. Wiley, New York
2. Ashcroft NW, Mermin ND (1976) Solid state physics. Saunders College Publishing, Fort Worth
3. Pankove JI (1971) Optical processes in semiconductors. Prentice-Hall, Englewood Cliffs
4. Bube RH (1960) Photoconductivity of solids. Wiley, New York
5. Fahrenbruch AL, Bube RH (1983) Fundamentals of solar cells. Academic Press, New York
6. Kimering LC, Kolenbrander KD, Michel J, Palm J (1997) Solid State Phys 50: 333
7. Smart L, Moore E (1992) Solid state chemistry. Chapman & Hall, London
8. Mazer JA (1997) Solar cells: an introduction to crystalline photovoltaic technology. Kluwer, Boston
9. Joshi NV (1990) Photoconductivity: art, science and technology. Dekker, New York
10. Neville RC (1995) Solar energy conversion: the solar cell, 2nd edn. Elsevier, Amsterdam
11. Reynolds DC, Collins TC (1981) Excitons: their properties and uses. Academic Press, New York
12. Pope M, Swenberg CE (1982) Electronic processes in organic crystals. Clarendon Press, Oxford
13. Lax M (1974) Symmetry principles in solid state and molecular physics. Wiley, New York
14. Bassani F, Parravicini GP, Ballinger RA (1975) Electronic states and optical transitions in solids. Pergamon, Oxford
15. Patil AO, Heeger AJ, Wudl F (1988) Chem Rev 88: 183
16. Hide F, Diaz-Garcia MA, Schwartz BJ, Heeger AJ (1997) Acc Chem Res 30: 430
17. Law K-Y (1993) Chem Rev 93: 449
18. Chamberlain GA (1983) Sol Cells 8: 47
19. Zhuravlela TS, Vannikov AV (1987) Mater Sci Forum 21: 203
20. Mort J, Pfister G (1982) In: Mort J, Pfister G (eds) Electronic properties of polymers. Wiley, New York, p 215
21. Chien JCW (1984) Polyacetylene: chemistry, physics and material science. Academic Press, Orlando
22. Baeriswyl D, Harbeke G, Kiess H, Meyer W (1982) In: Mort J. Pfister G (eds) Electronic properties of polymers. Wiley, New York, p 267
23. Karl N (1985) In: Madelung O, Eisele I, Fuhs W (eds) Landolt-Börnstein New Series III/17i. Springer, Berlin Heidelberg New York, p 106
24. Silinsh EA (1980) Organic molecular crystals: their electronic states. Springer, Berlin Heidelberg New York
25. Duke CB, Schein LB (1980) Phys Today 33: 42
26. Duke CB (1982) In: Miller JS (ed) Extended linear chain compounds, vol 2. Plenum, New York, p 59
27. Pope M, Swenberg CE (1982) Electronic processes in organic crystals. Clarendon Press, Oxford
28. Duke CB (1984) In: Ladik J, André J-M (eds) Quantum chemistry of polymers: solid state aspects. Reidel, Dordrecht, p 325
29. Brédas JL, Street GB (1985) Ace Chem Res 18: 309
30. Lu YC (1988) Solitons and polarons in conducting polymers. World Scientific, Singapore
31. Kiess GH (ed) (1992) Conjugated conducting polymers. Springer, Berlin Heidelberg New York
32. Kiess GH (1992) In: Kiess GH (ed) Conjugated conducting polymers. Springer, Berlin Heidelberg New York, p 1
33. Ferraro JR, Williams JM (1987) Introduction to synthetic electrical conductors. Academic Press, Orlando
34. Wiliams JM, Ferraro JR, Thorn RJ, Carlson KD, Geiser U, Wang HH, Kini AM, Whangbo M-H (1992) Organic super-conductors. Prentice-Hall, Englewood Cliffs, and references therein
35. Farges J-P (ed) (1994) Organic conductors. Dekker, New York
36. Rovira C, Tarres J, Llorca J, Molins E, Veciana J, Yang S, Cowan O, Garrigou-Lagrange C, Amiell J, Delhaes P, Canadell E, Pouget JP (1995) Phys Rev B 52: 8747
37. Seo D-K, Whangbo M-H. Fravel B, Montgomery LK (1996) Solid State Commun 100: 191
38. Whangbo M-H (1982) In: Miller JS (ed) Extended linear chain compounds, vol 2. Plenum, New York, p 127, and references therein
39. Greene RL, Street GB (1984) Science 226: 651
40. Cowan DO, Wlygul FM (1986) Chem Eng News 64: 28
41. Jerome D (1996) In Schlenker C, Dumas J, Greenblatt M, Van Smaalen S (eds) Physics and chemistry of low-dimensional inorganic conductors. Plenum, New York, p 141, and references therein
42. Schein LB, Duke CB, McGhie AR (1978) Phys Rev Lett 40: 197
43. Schein LB (1978) Pr Nauk Inst Chem Org Fiz Politech Wroclaw 16: 273
44. André JM, Delhalle J, Brédas JL (1991) Quantum chemistry aided design of organic polymers. World Scientific. Singapore
45. Kürtl J, Surjan PR, Kertesz M, Frapper G (1993) Synth Met 55-57: 4338
46. Kertesz M, Frapper G, Hong SY, Lee YS, Kim O-K (1993) Synth Met 55-57: 4338
47. Kazmaier PM, Hoffmann R (1994) J Am Chem Soc 116: 9684
48. Hoffmann R (1963) J Chem Phys 39: 1397
49. Whangbo M-H, Hoffmann R (1978) J Am Chem Soc 100: 6093
50. Landrum GA (1997) Yet another extended Hückel molecular orbital package (YAeHMOP), Cornell University, Ithaca, N.Y. YAeHMOP is freely available on the World Wide Web at: http://overlap.chem.cornell.edu:8080/yaehmop.html
51. Hoffmann R (1988) Solids and surfaces: a chemist's view of bonding in extended structures. VCH, New York
52. Goldstein MJ, Hoffmann R (1971) J Am Chem Soc 93: 6913
53. (a) Hughbanks, T, Kertesz M (1989) Mol Cryst Liq Cryst 176: 115;
54. (b) Hughbanks T, Yee KA (1991) In: Gatteschi D, Kahn O, Miller JS, Palacio F (eds) Magnetic molecular Materials. Kluwer, Dordrecht, p 67;
55. (c) Yoshizawa K, Hoffmann R (1995) Chem Eur J 1: 403
56. Coulson CA, Rushbrooke GS (1940) Proc Camb Philos Soc 36: 193
57. Borden WT (1975) Modern molecular orbital theory for organic chemists. Prentice-Hall, Englewood Cliffs
58. Heilbronner E, Bock H (1976) The HMO model and its application. Verlag Chemie, Weinheim
59. Coulson CA, O'Leary B, Mallion RB (1978) Hückel theory for organic chemists. Academic Press, London
60. Hargreaves A, Hasan Rizvi S (1962) Acta Crystallogr 15: 365
61. Burroughes JH, Bradley DDC, Brown AR, Marks RN, Mackay K, Friend RH. Burns PL, Holmes AB (1990) Nature (Lond) 347: 539
62. Hsieh BR, Yu Y, Forsythe EW. Schaaf GM, Feld WA (1998) J Am Chem Soc 120: 231
63. Kraft A, Grimedale AC, Holmes AB (1998) Angew Chem Int Ed Engl 37: 402, and references therein
64. Bradley DDC, Friend RH, Wong KS, Hayes W, Lindenberg H, Roth S (1987) In: Kuzmany H, Mehring M, Roth S (eds) Electronic properties of conjugated polymers. Springer, Berlin Heidelberg New York, p 79
65. Lee CH, Yu G, Heeger AJ (1993) Phys Rev B 47: 15543
66. Obrzut MJ, Karasz FK (1989) Macromolecules 22: 458
67. Yoshizawa K, Hoffmann R (1995) Chem Eur J 1: 403
68. Genin H, Hoffmann R (1998) Macromolecules 31: 444
69. Mizes H, Conwell E (1991) Phys Rev B 44: 3963
70. Iqbal Z, Ivory DM, Marti J, Brédas JL, Baughman RH (1985) Mol Cryst Liq Cryst 118: 103
71. Brédas JL, Baughman RH (1985) J Chem Phys 83: 1985
72. Wuckel L, Fröhner J (1990) Mater Sci Forum 62-64: 427
73. Schlüter A-D (1991) Adv. Mater 3: 282
74. Schlüter A-D, Löffler M, Enkelmann V (1994) Nature 368: 831
75. Kintzel O, Münch W, Schluter A-D (1996) J Org Chem 61: 7304
76. Kertesz M, Ashertehrani A (1996) Macromolecules 29: 940
77. Yu L, Chen M, Dalton LR (1990) Chem Mater 2: 649
78. Lehmann G (1991) Synth Met 41: 1615
79. Antoniadis, Abkowitz MA, Jenekhe SA, Stolka M (1993) Synth Met 60: 149
80. Fawcett JK, Trotter J (1966) Acta Crystallogr 20: 87
81. (a) Whangbo M-H, Hoffmann R, Woodward RB (1979) Proc Roy Soc Ser A: + 366: 23;
82. (b) Kertesz M, Hoffmann R (1983) Solid State Commun 47:97
83. (a) Hayashi S, Nakajima S, Kaneto K, Yoshino K (1986) J Phys Soc Jpn 55: 3995;
84. (b) Kihara N, Nakamura H, Fukutomi T (1997) Macromolecules 30: 6385
85. Hanson AW (1965) Acta Crystallogr 19: 19
86. Bucknum MJ, Hoffmann R (1994) J Am Chem Soc 116: 11456
87. Abrahams SC, Monteath Robertson J, White JG (1949) Acta Crystallogr 2: 238
88. Law K-Y (1988) J Phys Chem 92: 4226