Quantum theory of solid-liquid coexistence and interface in
- 18 April 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 72 (16) , 2589-2592
- https://doi.org/10.1103/physrevlett.72.2589
Abstract
We present a variational Monte Carlo simulation of solid-liquid coexistence and interface in at T=0 K. We employ a new, generalized form of the shadow wave function in which intershadow correlations are made explicitly dependent on a local density operator. This form allows for a unique representation of the ground state for the whole range of density extending over the two phases. In the phase transition region the stable state consists of a slab of crystal coexisting with the fluid. We obtain the local density, the order parameter, and the interfacial energy for the {100} surface of an fcc crystal.
This publication has 15 references indexed in Scilit:
- Stepped surfaces of hcp helium-4 crystalsPhysical Review Letters, 1994
- Optimization ofwave functions for the liquid and solid phasesPhysical Review B, 1992
- Growth Kinetics of Vicinal Surfaces of 4 He CrystalsEurophysics Letters, 1992
- Microscopic calculation of collective excitations inclustersPhysical Review Letters, 1990
- Shadow wave-function variational calculations of crystalline and liquid phases ofPhysical Review B, 1990
- Shadow wave function for many-boson systemsPhysical Review B, 1988
- Variational Calculations for Solid and Liquidwith a "Shadow" Wave FunctionPhysical Review Letters, 1988
- Path-integral computation of the low-temperature properties of liquidPhysical Review Letters, 1986
- Three-body correlations in liquidPhysical Review B, 1982
- Modern potentials and the properties of condensedPhysical Review B, 1981