메뉴 건너뛰기




Volumn 93, Issue 12, 2004, Pages

Prediction of new phases of nitrogen at high pressure from first-principles simulations

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; APPROXIMATION THEORY; COMPUTER SIMULATION; DISSOCIATION; HIGH PRESSURE EFFECTS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; SHOCK WAVES; THERMAL EFFECTS;

EID: 11144262931     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.125501     Document Type: Article
Times cited : (181)

References (32)
  • 8
    • 0000381015 scopus 로고    scopus 로고
    • and references therein
    • J. D. Kress, S. Mazevet, L. A. Collins, and W. W. Wood, Phys. Rev. B 63, 24203 (2000); L. E. Fried and W. M. Howard, J. Chem. Phys. 109, 7338 (1998), and references therein.
    • (1998) J. Chem. Phys. , vol.109 , pp. 7338
    • Fried, L.E.1    Howard, W.M.2
  • 17
    • 7244255901 scopus 로고    scopus 로고
    • R. J. Bartlett, S. Fau, M. Tobita, K. Wilson, and A. Perera (to be published)
    • R. J. Bartlett, S. Fau, M. Tobita, K. Wilson, and A. Perera (to be published).
  • 19
    • 4944232881 scopus 로고    scopus 로고
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
  • 24
    • 7244255900 scopus 로고    scopus 로고
    • note
    • Energy differences were converged to less than 0.01 eV/atom using regular grids of k points. For example, the Cmcm structure was treated with a 16-atom cell (for comparison with other structures) and a 4 × 4 × 4 grid, corresponding to 512 points in the Brillouin zone of the primitive 2-atom cell.
  • 28
    • 3042929341 scopus 로고
    • H. G. Drickamer, Solid State Phys. 17, 1 (1965); H. G. Drickamer, R. W. Lynch, R. L. Clendenen, and L. Perez-Albuerne, Solid State Phys. 19, 135 (1966).
    • (1965) Solid State Phys. , vol.17 , pp. 1
    • Drickamer, H.G.1
  • 30
    • 0035494268 scopus 로고    scopus 로고
    • and references cited therein
    • M. Ross and L. H. Yang, Phys. Rev. B 64, 134210 (2001), and references cited therein.
    • (2001) Phys. Rev. B , vol.64 , pp. 134210
    • Ross, M.1    Yang, L.H.2
  • 32
    • 0019094933 scopus 로고
    • Fig. 10
    • See, for example, Fig. 10 in F. P. Bundy, J. Geophys. Res. 85, 6930 (1980).
    • (1980) J. Geophys. Res. , vol.85 , pp. 6930
    • Bundy, F.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.