Electronic Structures of Protein Nanotubes

Journal of the Physical Society of Japan

Volumn 66, Issue 11, 1997, Pages 3387-3390

  Fukasaku, Katsuhiko ^a   Takeda, Kyozaburo ^a   Shiraishii, Kenji ^b  

^a WASEDA UNIVERSITY   (Japan)

^b Kashino Diverse Brain Research Laboratory of NTT Communication Science Laboratories   (Japan)

Author keywords

energy band Gap; first principle electronic structures; local density functional method; protein nanotubes

Indexed keywords

EID: 21944442897     PISSN: 00319015     EISSN: 13474073     Source Type: Journal    
DOI: 10.1143/JPSJ.66.3387     Document Type: Article

References (12)

1. M. R. Ghadiri, J. R. Granja, R. A. Milligan, D. E. McRee and N. Khazanovich: Nature 366 (1997) 324
2. M. R. Ghadiri: Adv. Mater. 7 (1995) 675.
3. K. Takeda and K. Shiraishi: J. Phys. Soc. Jpn. 65 (1996) 421.
4. P. Hohenberg and W. Kohn: Phys. Rev. B136 (1964) 864.
5. W. Kohn and L. J. Sham: Phys. Rev. A140 (1965) 1133.
6. D. R. Hamann, M. Schluter and C. Chiang: Phys. Rev. Lett. 43 (1979) 1494.
7. G. B. Bachelet, D. R. Hamann and M. Schluter: Phys. Rev. B26 (1982) 4199.
8. D. M. Ceperley and B. J. Alder: Phys. Rev. Lett. 45 (1980) 566.
9. J. P. Perdew and A. Zunger: Phys. Rev. B23 (1981) 5048.
10. A. Oshiyama and M. Saito: J. Phys. Soc. Jpn. 56 (1987) 2104.
11. K. Shiraishi, A. Oshiyama, A. Shima, T. Nakayama and H. Kamimura: Solid State Commun. 66 (1988) 629.
12. Although the LDF calculations give the correct electronic structures of the conduction band as well as the valence band, the calculated band gap values tend to be underestimated. However, the relative values can be compared within the same calculational condition (M. S. Hybertsen and S. G. Louie: Phys. Rev. B34 (1986) 5390).