Analysis of local structure similarity for liquid gallium near the melting point: partial resemblances to crystalline structures

Abstract

The local structure similarity was used to compare local structures of solid-like atoms in liquid Ga with four crystalline counterparts, where liquids were generated by AIMD simulations. The solid-like atoms had partial resemblances in local structure to each crystal but more similar as β-Ga than the other threes. As a merge together of two solid-like atoms characterized by fourfold orientational symmetry and high resemblances to β-Ga, the solid-like atoms and their common neighbors had a possibility to form 2D-rhombic units proposed as a cause for the high-momentum shoulder in the static structure factor of liquid Ga near the melting point.