Librational motion in solid α-N2
Tóm tắt
A description of the librational molecular motions in solid α-N2 in terms of spherical harmonics is applied to give a temperature-dependent molecular field theory. Electrostatic quadrupole-quadrupole interactions between molecules on a fcc lattice with space groupPa3 are assumed. A first-order transition from a phase where the molecules are librating to one where they are rotating freely is found. In addition, the librational frequencies at κ=0 and zero temperature are calculated, using the single-particle states of the molecular field theory, and compared with Raman scattering experiments.
Tài liệu tham khảo
J. C. Raich,J. Chem. Phys., to be published.
M. Brith, A. Ron, and O. Schnepp,J. Chem. Phys. 51, 1318 (1969).
J. E. Cahill and G. E. Leroi,J. Chem. Phys. 51, 1325 (1969).
A. Anderson, T. S. Sun, and M. C. A. Donkersloot,Can. J. Phys. 48, 2265 (1970).
H. M. James and J. C. Raich,Phys. Rev. 162, 649 (1967).
R. F. Curl, H. P. Hopkins, Jr., and K. S. Pitzer,J. Chem. Phys. 48, 4064 (1968).
R. J. Lee and J. C. Raich,Phys. Rev. Letters 27, 1137 (1971).
B. C. Kohin,J. Chem. Phys. 33, 882 (1960).
T. J. Krieger and H. M. James,J. Chem. Phys. 22, 796 (1954).
J. C. Raich and R. D. Etters,J. Chem. Phys. 55, 3901 (1971).
N. Jacobi and O. Schnepp, preprint.