Computer study of a classical quadrupole solid
- 15 February 1974
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 60 (4) , 1432-1439
- https://doi.org/10.1063/1.1681216
Abstract
The Monte Carlo method is applied to a system of 32 classical free rotors on a face-centered cubic lattice with toroidal boundary conditions. The particles interact via nearest-neighbor electric quadrupole interactions, characterized by an energy Γ=6Q2/25R5. A first-order phase transition is found at about kBT=11Γ. Results are given for energy, specific heat, correlations of the form < Y2m (k)* Y2n (k) >, and various other quantities. Suggestions are made for further experimental and theoretical studies.Keywords
This publication has 24 references indexed in Scilit:
- Orientational properties of the classical one-dimensional multipolar arrayThe Journal of Chemical Physics, 1973
- Quantum Lattice Dynamics of Molecular Solids. II. Application to the Librations of Solid CO2, α-N2, and o-H2The Journal of Chemical Physics, 1972
- Librational motion in solid ?-N2Journal of Low Temperature Physics, 1972
- k=0 Librational Spectrum for Solid α-N2The Journal of Chemical Physics, 1972
- Librational Motion in the α Phase of Solid N2 and COCanadian Journal of Physics, 1971
- Soft Modes in Molecular CrystalsThe Journal of Chemical Physics, 1971
- Lattice dynamics and spectral line widths of α-N2Discussions of the Faraday Society, 1969
- Molecular Rotation in Crystals of N2 and COThe Journal of Chemical Physics, 1960
- Successive Orientational Transitions in CrystalsThe Journal of Chemical Physics, 1954
- The Dielectric Constants of Solids and Molecular Rotation.Chemical Reviews, 1936