Theoretical calculations for solid oxygen under high pressure

Journal of Physics Condensed Matter

Volumn 20, Issue 33, 2008, Pages

  Nozawa, Kazuki ^a   Shima, Nobuyuki ^a   Makoshi, Kenji ^a  

^a UNIVERSITY OF HYOGO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; DIFFRACTION; EXPERIMENTS; ISOMERS; OXYGEN; POWDERS; X RAY ANALYSIS; X RAY DIFFRACTION;

AB INITIO; ADIABATIC POTENTIALS; ANISOTROPIC LATTICES; BASAL PLANES; ENERGY DIFFERENCES; HIGH PRESSURES; LATTICE PARAMETERS; LOW TEMPERATURES; OXYGEN MOLECULES; PRESSURE RANGES; SOLID OXYGENS; THEORETICAL CALCULATIONS; X-RAY DIFFRACTIONS;

CRYSTAL STRUCTURE;

EID: 56449087753     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/33/335219     Document Type: Article

References (25)

1. Barrett C S, Meyer L and Wasserman J 1967 J. Chem. Phys. 47 592
2. Jodl H J, Bolduan F and Hochheimer H D 1985 Phys. Rev. B 31 7376
3. Etters R D, Kobashi K and Belak J 1985 Phys. Rev. B 32 4097
4. Akahama Y, Kawamura H and Shimomura O 2001 Phys. Rev. B 64 054105
5. Gorelli F A, Santoro M, Ulivi L and Hanfland M 2002 Phys. Rev. B 65 172106
6. Fujihisa H, Akahama Y, Kawamura H, Ohishi Y, Shimomura O, Yamawaki H, Sakashita M, Gotoh Y, Takeya S and Honda K 2006 Phys. Rev. Lett. 97 085503
7. Lundegaard L F, Weck G, McMahon M I, Desgreniers S and Loubeyre P 2006 Nature 443 201
8. Desgreniers S, Vohra Y K and Ruoff A L 1990 J. Phys. Chem. 94 1117
9. Akahama Y, Kawamura H, Häusermann D, Hanfland M and Shimomura O 1995 Phys. Rev. Lett. 74 4690
10. Shimizu K, Suhara K, Ikumo M, Erements M I and Amaya K 1998 Nature 393 767
11. Nozawa K, Shima N and Makoshi K 2002 J. Phys. Soc. Japan 71 377
12. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
13. Serra S, Chiarotti G, Scandolo S and Tosatti E 1998 Phys. Rev. Lett. 80 5160
14. Otani M, Yamaguchi K, Miyagi H and Suzuki N 1998 Rev. High Pressure Sci. Technol. 7 178
15. Kususe K, Hori Y, Suzuki S and Nakano K 1999 J. Phys. Soc. Japan 68 2692
16. Gebauer R, Serra S, Chiarotti G L, Scandolo S, Baroni S and Tosatti E 2000 Phys. Rev. B 61 6145
17. Neaton J B and Ashcroft N W 2002 Phys. Rev. Lett. 88 205503
18. Ma Y, Oganov A R and Glass C W 2007 Phys. Rev. B 76 064101
19. Nozawa K 2002 PhD Thesis Himeji Institute of Technology
20. Goncharenko I N, Makarova O L and Ulivi L 2004 Phys. Rev. Lett. 93 055502
21. See for example Roos B O 1987 Advances in Chemical Physics ed K P Lawley (New York: Wiley) p 339 and references therein
22. Schmidt M W, Baldridge K K, Boatz J A, Elbert S T, Gordon M S, Jensen J, Koseki S, Matsunaga N, Nguyen K A, Su S, Windus T L, Dupuis M and Montgomery J A Jr 1993 Comput. Chem. 14 1347
23. Widmark P-O, Malmqvist P-A and Roos B O 1990 Theor. Chim. Acta 77 291
24. Mita Y, Kobayashi M and Endo S 2002 High Pressure Res. 22 23
25. Goncharenko I N 2005 Phys. Rev. Lett. 94 205701