Bond-orientational order in liquid Si
- 1 March 1991
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 94 (5) , 3896-3900
- https://doi.org/10.1063/1.460665
Abstract
We study bond-orientational order in liquid Si via Monte Carlo simulation in conjunction with empirical two- and three-body potentials of the form proposed by Stillinger and Weber. Bond-orientational order (BOO) is described in terms of combinations of spherical harmonic functions. Liquid Si is found to have pronounced short-range BOO corresponding to l=3, as expected for a structure with local tetrahedral order. No long-range BOO is found either in the equilibrium or the supercooled liquid. When the three-body potential is artificially removed, the tetrahedral bond-orientation order disappears and the liquid assumes a close-packed structure.Keywords
This publication has 10 references indexed in Scilit:
- Grain Boundaries in Silicon from Zero Temperature through MeltingJournal of the American Ceramic Society, 1990
- Surface and Thermodynamic Interatomic Force Fields for Silicon Clusters and Bulk PhasesPhysical Review Letters, 1989
- New empirical model for the structural properties of siliconPhysical Review Letters, 1986
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Interatomic Potentials for Silicon Structural EnergiesPhysical Review Letters, 1985
- Computer simulation of local order in condensed phases of siliconPhysical Review B, 1985
- Bond-orientational order in liquids and glassesPhysical Review B, 1983
- Hidden structure in liquidsPhysical Review A, 1982
- Über die Struktur von Si-, Ge-, Sn- und Pb-Schmelzen / Structure of Si-, Ge-, Sn-, and Pb-meltsZeitschrift für Naturforschung A, 1979
- Evidence for an Orientationally Ordered Two-Dimensional Fluid Phase from Molecular-Dynamics CalculationsPhysical Review Letters, 1979