First-principles study on molecular dissociation under metallization pressure in aromatic monomolecular crystals with iodine atoms

Journal of Physics Condensed Matter

Volumn 14, Issue 44 SPEC ISS., 2002, Pages 10429-10432

  Tateyama, Yoshitaka ^a   Ohno, Takahisa ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; ATOMS; BAND STRUCTURE; CALCULATIONS; CARBON; DISSOCIATION; IODINE COMPOUNDS; METALLIZING; MOLECULAR STRUCTURE; PHASE TRANSITIONS; PRESSURE EFFECTS; REACTION KINETICS;

BAND OVERLAP MECHANISM; HEXA IODOBENZENE; IODANIL; METALLIZATION PRESSURE; MOLECULAR DISSOCIATION; MOLECULAR PHASE; STRUCTURAL TRANSFORMATION;

MOLECULAR CRYSTALS;

EID: 0037064841     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/14/44/306     Document Type: Article

References (13)

1. MacMahan A K 1978 High-Pressure and Low-Temperature Physics (New York: Plenum)
2. Balchan A S and Drickamer H G 1961 J. Chem. Phys. 34 1948
3. Takemura K, Minomura S, Shimomura O and Fujii Y 1980 Phys. Rev. Lett. 45 1881
4. Orita N, Niizeki K, Shindo K and Tanaka H 1992 J. Phys. Soc. Japan 61 4502
5. Shirotani I et al. 1976 J. Solid State Chem. 18 235
6. Yokota T et al. 1996 Czech. J. Phys. 46 817
7. Iwasaki E et al. 2001 Synth. Met. 120 1003
8. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
9. Vanderbilt D 1990 Phys. Rev. B 41 7892
10. Nielsen O H and Martin R M 1985 Phys. Rev. B 32 3792
11. Perdew J P et al. 1992 Phys. Rev. B 46 6671
12. Nakayama A, Aoki K, Matsushita Y and Shirotani I 1999 Solid State Commun. 110 627
13. Nakayama A, Aoki K and Carlon R P 2001 Phys. Rev. B 64 064104