6533b829fe1ef96bd128a23c
RESEARCH PRODUCT
Quantum effects on the herringbone ordering ofN2on graphite
Peter NielabaD. MarxO. OpitzKurt Bindersubject
PhysicsCondensed matter physicsTransition temperatureMonte Carlo methodPath integral formulationGeneral Physics and AstronomyOrder (ring theory)Atmospheric temperature rangeGround stateQuantum statistical mechanicsQuantum fluctuationdescription
The effects of quantum fluctuations on the ``2-in'' herringbone ordering in a realistic model of 900 ${\mathrm{N}}_{2}$ molecules adsorbed in the (\ensuremath{\surd}3 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}3 )R30\ifmmode^\circ\else\textdegree\fi{} structure on graphite are studied via path-integral Monte Carlo (PIMC) simulations. Quasiclassical and quasiharmonic calculations agree for high and low temperatures, respectively, but only PIMC gives satisfactory results over the entire temperature range. We can quantify the lowering of the transition temperature and the depression of the ground state order to 10% as compared to classical modeling.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-05-10 | Physical Review Letters |