On the diffraction pattern of C60 peapods

TL;DR

This paper provides detailed calculations of the diffraction patterns of C60 peapods, analyzing how structural parameters affect X-ray and neutron diffraction, aiding better interpretation of experimental data.

Contribution

It introduces a comprehensive formalism for diffraction pattern calculation of C60 peapods and proposes criteria for determining their filling rates from experimental data.

Findings

Diffraction patterns depend on structural parameters of peapods.

Different synthesis techniques lead to distinct diffraction signatures.

Proposed criteria improve filling rate determination accuracy.

Abstract

We present detailed calculations of the diffraction pattern of a powder of bundles of C$_{60}$ peapods. The influence of all pertinent structural parameters of the bundles on the diffraction diagram is discussed, which should lead to a better interpretation of X-ray and neutron diffraction diagrams. We illustrate our formalism for X-ray scattering experiments performed on peapod samples synthesized from 2 different technics, which present different structural parameters. We propose and test different criteria to solve the difficult problem of the filling rate determination.