Ab-initio calculations of one-dimensional band structures of mixed-stack molecular crystals

Solid State Communications

Volumn 102, Issue 8, 1997, Pages 589-594

  Katan, C ^a   Koenig, C ^a   Blochl P E ^b  

^a UNIVERSITÉ DE RENNES 1   (France)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; BAND STRUCTURE; CALCULATIONS; CHARGE TRANSFER; MATHEMATICAL MODELS;

CHARGE TRANSFER COMPOUNDS; QUINONES;

MOLECULAR CRYSTALS;

EID: 0031146149     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(97)00030-6     Document Type: Article

References (23)

1. Torrance, J.B., Vasquez, J.E., Mayerle, J.J. and Lee, V.Y., Phys. Rev. Lett., 46, 1980, 253; Girlando, A., Pecile, C., Brillante, A. and Syassen, K., Solid State Commun., 57, 1986, 891; Torrance, J.B., Girlando, A., Mayerle, J.J., Crowley, J.I., Lee, V.Y. and Batail, P., Phys. Rev. Lett., 47, 1981, 1747; Okamoto, H., Mitani, T., Tokura, Y., Koshihara, S., Komatsu, T., Iwasa, Y., Koda, T. and Saito, G., Phys. Rev., B43, 1991, 8224 (and references therein).
2. Torrance, J.B., Vasquez, J.E., Mayerle, J.J. and Lee, V.Y., Phys. Rev. Lett., 46, 1980, 253; Girlando, A., Pecile, C., Brillante, A. and Syassen, K., Solid State Commun., 57, 1986, 891; Torrance, J.B., Girlando, A., Mayerle, J.J., Crowley, J.I., Lee, V.Y. and Batail, P., Phys. Rev. Lett., 47, 1981, 1747; Okamoto, H., Mitani, T., Tokura, Y., Koshihara, S., Komatsu, T., Iwasa, Y., Koda, T. and Saito, G., Phys. Rev., B43, 1991, 8224 (and references therein).
3. Torrance, J.B., Vasquez, J.E., Mayerle, J.J. and Lee, V.Y., Phys. Rev. Lett., 46, 1980, 253; Girlando, A., Pecile, C., Brillante, A. and Syassen, K., Solid State Commun., 57, 1986, 891; Torrance, J.B., Girlando, A., Mayerle, J.J., Crowley, J.I., Lee, V.Y. and Batail, P., Phys. Rev. Lett., 47, 1981, 1747; Okamoto, H., Mitani, T., Tokura, Y., Koshihara, S., Komatsu, T., Iwasa, Y., Koda, T. and Saito, G., Phys. Rev., B43, 1991, 8224 (and references therein).
4. Torrance, J.B., Vasquez, J.E., Mayerle, J.J. and Lee, V.Y., Phys. Rev. Lett., 46, 1980, 253; Girlando, A., Pecile, C., Brillante, A. and Syassen, K., Solid State Commun., 57, 1986, 891; Torrance, J.B., Girlando, A., Mayerle, J.J., Crowley, J.I., Lee, V.Y. and Batail, P., Phys. Rev. Lett., 47, 1981, 1747; Okamoto, H., Mitani, T., Tokura, Y., Koshihara, S., Komatsu, T., Iwasa, Y., Koda, T. and Saito, G., Phys. Rev., B43, 1991, 8224 (and references therein).
5. Koshihara, S., Tokura, Y., Mitani, T., Saito, G. and Koda, T., Phys. Rev., B42, 1991, 6853.
6. Mayerle, J.J., Torrance, J.B. and Crowley, J.I., Acta Cryst., B35, 1979, 2988.
7. Jacobsen, C.S. and Torrance, J.B., J. Chem. Phys., 78, 1983, 112.
8. Moreac, A., Girard, A. and Delugeard, Y., J. Phys.: Condensed Matter, 8, 1996, 3569 (and references therein).
9. Girlando, A., Pecile, C. and Torrance, J.B., Solid State Commun., 54, 1985, 753.
10. Brillante, A. and Girlando, A., Phys. Rev., B45, 1992, 7026.
11. Girlando, A., Painelli, A., Pecile, C., Calestani, G., Rizzoli, C. and Metzger, R.M., J. Chem. Phys., 98, 1993, 7692.
12. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 2754; Painelli, A. and Girlando, A., Phys. Rev., B37, 1988, 5748; 39, 1989, 9663; Iizuka-Sakano, T. and Toyozawa, Y., J. Phys. Soc. Jpn., 65, 1996, 671.
13. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 2754; Painelli, A. and Girlando, A., Phys. Rev., B37, 1988, 5748; 39, 1989, 9663; Iizuka-Sakano, T. and Toyozawa, Y., J. Phys. Soc. Jpn., 65, 1996, 671.
14. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 2754; Painelli, A. and Girlando, A., Phys. Rev., B37, 1988, 5748; 39, 1989, 9663; Iizuka-Sakano, T. and Toyozawa, Y., J. Phys. Soc. Jpn., 65, 1996, 671.
15. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 2754; Painelli, A. and Girlando, A., Phys. Rev., B37, 1988, 5748; 39, 1989, 9663; Iizuka-Sakano, T. and Toyozawa, Y., J. Phys. Soc. Jpn., 65, 1996, 671.
16. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 3488; Kojyo, N. and Onodera, Y., J. Phys. Soc. Jpn., 56, 1987, 3228.
17. Nagaosa, N., J. Phys. Soc. Jpn., 55, 1986, 3488; Kojyo, N. and Onodera, Y., J. Phys. Soc. Jpn., 56, 1987, 3228.
18. Blöchl, P., Phys. Rev., B50, 1994, 17953.
19. Becke, A.D., J. Chem. Phys., 96, 1992, 2155; Perdew, J.P., Phys. Rev., B33, 1986, 8822.
20. Becke, A.D., J. Chem. Phys., 96, 1992, 2155; Perdew, J.P., Phys. Rev., B33, 1986, 8822.
21. Katan, C., Blöchl, P., Margl, P. and Koenig, C., Phys. Rev., B53, 1996, 12112.
22. Le Cointe, M., Lemée-Cailleau, M.H., Cailleau, H., Toudic, B., Toupet, L., Heger, G., Moussa, F., Schweiss, P., Kraft, K.H. and Karl, N., Phys. Rev., B51, 1995, 3374.
23. Tokura, Y., Koda, T., Mitani, T. and Saito, G., Solid State Commun., 43, 1982, 757.