6533b7d4fe1ef96bd1262657
RESEARCH PRODUCT
Gradual freezing of orientational degrees of freedom in cubicAr1−x(N2)xmixtures
Martin H. MüserPeter Nielabasubject
PhysicsCrystalDistribution functionCondensed matter physicsMass distributionQuadrupolePath integral formulationMonte Carlo methodDegrees of freedom (physics and chemistry)Order (ring theory)description
The mixed crystal ${\mathrm{Ar}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$(${\mathrm{N}}_{2}$${)}_{\mathit{x}}$ is studied by Monte Carlo (MC) methods for x=0.33, 0.67, and 1.0 over a wide range of temperatures. For x=1 we find first-order transition from ordered cubic to disordered cubic, while for x=0.33 and x=0.67 we find broad nonuniform distribution functions of the local quadrupole Edwards-Anderson order parameter at low temperature. The short-range order of the quadrupolar mass distribution of the ${\mathrm{N}}_{2}$ molecules in the mixed systems is different from that observed in the pure ${\mathrm{N}}_{2}$ crystal, although the fcc symmetry has been chosen for the translational degrees of freedom. Quantum effects and the effects of the translational rotational coupling are quantified by path integral MC and classical MC, respectively.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1995-09-01 | Physical Review B |