Abstract
Rigid rotors with electric quadrupole moment which are localized at FCC lattice sites have been studied by Monte Carlo simulations. It is found that as the temperature lowers the classical rotors are orientationally ordered to form a Pa3 structure. Molecular solids of nitrogen and orthohydrogen were observed to show this orientational ordering at low temperatures, which is understood to be due to the anisotropic interactions between the molecules. Since most of the anisotropy in the intermolecular interactions can be explained by electric quadrupole-quadrupole interaction, we compare our calculation with the experimental results for solid N2 and ortho-H2.
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References
I.F. Silvera, Rev. Mod. Phys. 52, 393 (1980)
H. Mao, R.J. Hemley, Rev. Mod. Phys. 66, 671 (1994)
K.J. Runge, M.P. Surh, C. Mailhiot, E.L. Pollock, Phys. Rev. Lett. 69, 3527 (1992)
T. Cui, E. Cheng, B.J. Alder, K.B. Whaley, Phys. Rev. B 55, 12253 (1997)
W.F. Giaugue, J.O. Clayton, J. Am. Chem. Soc. 55, 4875 (1933)
M.D. Allen, D.J. Tildesley, in: Computer Simulation of Liquids (Oxford, New York, 1987), p. 51
M.J. Mandell, J. Chem. Phys. 60, 1432 (1974)
C. Graham, D.A. Imrie, R.E. Raab, Mol. Phys. 93, 49 (1998)
J.K. Kjems, G. Dolling, Phys. Rev. B 11, 1639 (1975)
D.M. Ceperley, Rev. Mod. Phys. 67, 279 (1995)
D.M. Ceperley, J. Stat. Phys. 63, 1237 (1991)
E.L. Pollock, K.J. Lunge, Physica B 197, 180 (1994)
B. Hetényi, S. Scandolo, E. Tosatti, Phys. Rev. Lett. 94, 125503 (2005)
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Shin, H., Kwon, Y. Orientational Ordering of Electric Quadrupoles in FCC Lattices. J Low Temp Phys 150, 311–316 (2008). https://doi.org/10.1007/s10909-007-9550-3
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DOI: https://doi.org/10.1007/s10909-007-9550-3