PRESSURE-DEPENDENCE OF VIBRATIONAL FREQUENCIES IN ALPHA-SOLID NITROGEN

被引:1
作者
ELSADEK, A
HELMY, AA
ELERAKY, S
机构
[1] Dept. of Eng. Phys., Cairo Univ., Giza
关键词
D O I
10.1088/0953-8984/3/19/004
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Properties of solid nitrogen under pressure have been studied in terms of a harmonic intramolecular potential and a parametrized site-site Lennard-Jones [6-12]-type potential to describe the interaction between non-bonded atoms using the lattice sum. A computer simulation study as an alternative to the experiment has been used to obtain the pressurized nitrogen. The sublimation energy, the equation of state, the minimum potential energies of the crystal in the molar volume range 16-28 cm3 and the corresponding bond lengths were reproduced satisfactorily for alpha-nitrogen. The pressure dependence of the frequency change and bulk modulus were also estimated and compared with the experimental data.
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页码:3255 / 3264
页数:10
相关论文
共 14 条
  • [1] N-2-N-2 INTERACTION POTENTIAL FROM ABINITIO CALCULATIONS, WITH APPLICATION TO THE STRUCTURE OF (N-2)2
    BERNS, RM
    VANDERAVOIRD, A
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (11) : 6107 - 6116
  • [2] THE STRUCTURE OF N-2 AT 49 KBAR AND 299-K
    CROMER, DT
    MILLS, RL
    SCHIFERL, D
    SCHWALBE, LA
    [J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1981, 37 (JAN): : 8 - 11
  • [3] Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253
  • [4] HANSON RC, 1980, CHEM PHYS, V53, P2768
  • [5] HELMY AA, 1984, THERMOPHYSICAL PROPE, V11
  • [6] HELMY AA, 1983, PHYS REV B, V27, P6439
  • [7] ISAAC F, 1980, REV MOD PHYS, V52, P393
  • [8] RAMAN-SPECTROSCOPY OF SOLID NITROGEN UP TO 374 KBAR
    LESAR, R
    EKBERG, SA
    JONES, LH
    MILLS, RL
    SCHWALBE, LA
    SCHIFERL, D
    [J]. SOLID STATE COMMUNICATIONS, 1979, 32 (02) : 131 - 134
  • [9] EFFECT OF CHANGES IN PAIR POTENTIAL ON THE DYNAMICAL STRUCTURE FACTOR OF MOLECULAR-CRYSTALS
    MURTHY, CS
    SINGER, K
    KLEIN, ML
    MCDONALD, IR
    [J]. MOLECULAR PHYSICS, 1980, 40 (06) : 1517 - 1521
  • [10] SAKAI K, 1980, CHEM PHYS LETT, V47, P416