Computer simulation of local order in condensed phases of silicon.

Melting causes a structural collapse to occur in the tetrahedral semiconductors Si and Ge. In spite of the intrinsic interest in these melts that such striking properties engender, liquid- state theory has previously not examined these substances. This paper attempts partially to rectify that omission. A model potential energy function is proposed to describe interactions in the solid and liquid forms of Si. Molecular dynamics computer simulation is used to explore the implied materials properties, using a system of 216 atoms.