Atomic structure and electronic state of boron nitride fullerenes and nanotubes

Abstract

Abstract Boron nitride (BN) fullerenes and nanotubes were obtained by applying the arc-melting method to a powder mixture of boron and iron oxide in a nitrogen gas. BN fullerenes of size 0.7 nm were observed. Angular tips of BN nanotubes of diameter 6.6 nm and length 50–100 nm were also observed. When using a powder mixture of boron and gold, BN fullerenes and nanotubes were not obtained. Atomic structure models for BN fullerene and nanotube were proposed, and the (BN)36 cluster was found to be stable in spite of the existence of distorted six- and four-membered rings. The density of states for the cluster was calculated theoretically, and is similar to that of hexagonal BN. The prime novelty of the study is that BN fullerenes and BN nanotubes can be synthesized by a simple arc-melting method, and the stability of their atomic structure and the electronic state were predicted by theoretical calculations.