Relation between Principal Peak Height, Position and Width of Structure Factor in Dense Monatomic Liquids

Abstract

In monatomic dense liquids, the condition that the pair function g(r) vanishes at r = 0 is shown to lead to the approximate relation

for the principal peak height, at position q_m , of the structure factor S(q) in terms of the peak width Δq. In (I), 2Δq is defined precisely as the distance between the two adjacent nodes of S(q)– 1 which embrace the peak position q_m . Examples for liquid argon, sodium and potassium using measured diffraction data confirm the form (I), with constant ⋍ 3/8.